smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O)c(CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)c1 ZINC000826210022 947613948 /nfs/dbraw/zinc/61/39/48/947613948.db2.gz AVXBGOGSIJDLJT-UHFFFAOYSA-N -1 3 397.439 1.769 20 10 GDCDHM CS(=O)(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158076668 531207782 /nfs/dbraw/zinc/20/77/82/531207782.db2.gz NORCNPGBEKWQCU-OAHLLOKOSA-N -1 3 388.917 1.951 20 10 GDCDHM CC[C@H](COCC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000295498562 531588524 /nfs/dbraw/zinc/58/85/24/531588524.db2.gz SVDVDLDVWCHDGR-SECBINFHSA-N -1 3 384.376 1.851 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000297654684 531808834 /nfs/dbraw/zinc/80/88/34/531808834.db2.gz BIJXJRJFMFZSDW-LBPRGKRZSA-N -1 3 399.285 1.734 20 10 GDCDHM CN(CC(F)(F)Br)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000288127404 532265649 /nfs/dbraw/zinc/26/56/49/532265649.db2.gz IITSSRCZPSNKEF-UHFFFAOYSA-N -1 3 387.202 1.823 20 10 GDCDHM CCN1C(=O)[C@H]2CN(Cc3cc(Br)cc(C)c3[O-])CCN2C1=O ZINC000378444631 532287581 /nfs/dbraw/zinc/28/75/81/532287581.db2.gz XSEANOCSPZDKLZ-CYBMUJFWSA-N -1 3 382.258 1.931 20 10 GDCDHM CCCN(CC(=O)NC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736469094 598610134 /nfs/dbraw/zinc/61/01/34/598610134.db2.gz FBRDOVJLMVCPOS-UHFFFAOYSA-N -1 3 395.467 1.872 20 10 GDCDHM Cc1cc(C(=O)N[C@@H](C)c2nncn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233253 598610440 /nfs/dbraw/zinc/61/04/40/598610440.db2.gz HDZYDBXNFOPGIE-LBPRGKRZSA-N -1 3 391.439 1.894 20 10 GDCDHM CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826053228 607511668 /nfs/dbraw/zinc/51/16/68/607511668.db2.gz WWDYCNOHXUGKNV-UHFFFAOYSA-N -1 3 395.467 1.776 20 10 GDCDHM COc1ccc(N2CCN(C(=O)CN3CCC(CCC(=O)[O-])CC3)CC2)cc1 ZINC000832384119 601841424 /nfs/dbraw/zinc/84/14/24/601841424.db2.gz UFKJDUILHMMLFR-UHFFFAOYSA-N -1 3 389.496 1.921 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826210325 607632071 /nfs/dbraw/zinc/63/20/71/607632071.db2.gz MVCKFHVAVCDDEX-LLVKDONJSA-N -1 3 389.437 1.929 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826210325 607632072 /nfs/dbraw/zinc/63/20/72/607632072.db2.gz MVCKFHVAVCDDEX-LLVKDONJSA-N -1 3 389.437 1.929 20 10 GDCDHM COc1ccc(N(C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826209180 607753819 /nfs/dbraw/zinc/75/38/19/607753819.db2.gz PXXIWDNTECKPDI-CQSZACIVSA-N -1 3 385.424 1.760 20 10 GDCDHM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)C1 ZINC000822859974 606057672 /nfs/dbraw/zinc/05/76/72/606057672.db2.gz KSBCDOJIMCJMCI-AWEZNQCLSA-N -1 3 378.440 1.576 20 10 GDCDHM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2)C1 ZINC000822859974 606057678 /nfs/dbraw/zinc/05/76/78/606057678.db2.gz KSBCDOJIMCJMCI-AWEZNQCLSA-N -1 3 378.440 1.576 20 10 GDCDHM COc1ccc(N2CCC(NC(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)cc1 ZINC000821831776 606243411 /nfs/dbraw/zinc/24/34/11/606243411.db2.gz MHMRZKVBKAZBRG-UHFFFAOYSA-N -1 3 381.440 1.613 20 10 GDCDHM COc1ccc(N2CCC(NC(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)cc1 ZINC000821831776 606243412 /nfs/dbraw/zinc/24/34/12/606243412.db2.gz MHMRZKVBKAZBRG-UHFFFAOYSA-N -1 3 381.440 1.613 20 10 GDCDHM COC(=O)[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000821640360 606574965 /nfs/dbraw/zinc/57/49/65/606574965.db2.gz HHCPHXBSZYNTJM-KRWDZBQOSA-N -1 3 394.435 1.956 20 10 GDCDHM CCN(Cc1nc(CC(=O)NC)no1)Cc1cc(Br)ccc1[O-] ZINC000749796421 654841129 /nfs/dbraw/zinc/84/11/29/654841129.db2.gz KRUNSPFXJYRTOI-UHFFFAOYSA-N -1 3 383.246 1.848 20 10 GDCDHM COc1cccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1O ZINC000729859309 654918917 /nfs/dbraw/zinc/91/89/17/654918917.db2.gz MYVHTOXRKINDMA-UHFFFAOYSA-N -1 3 390.870 1.710 20 10 GDCDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000797432528 655242330 /nfs/dbraw/zinc/24/23/30/655242330.db2.gz HKMIFLGKLJJZFX-UHFFFAOYSA-N -1 3 385.423 1.092 20 10 GDCDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000797431745 655242335 /nfs/dbraw/zinc/24/23/35/655242335.db2.gz XKWYCYXESQFMIT-UHFFFAOYSA-N -1 3 385.467 1.510 20 10 GDCDHM COCCNC(=O)CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862214280 655842113 /nfs/dbraw/zinc/84/21/13/655842113.db2.gz MIUYXDFNSIOXHJ-UHFFFAOYSA-N -1 3 386.290 1.035 20 10 GDCDHM CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862550186 655847275 /nfs/dbraw/zinc/84/72/75/655847275.db2.gz CGQYHPCZLMRLCH-JTQLQIEISA-N -1 3 377.850 1.715 20 10 GDCDHM CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)N(C)C)cc1 ZINC000908458494 659910163 /nfs/dbraw/zinc/91/01/63/659910163.db2.gz WWHHMAFQLBDLPS-AWEZNQCLSA-N -1 3 385.921 1.721 20 10 GDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)N(C)C)cc1 ZINC001593708932 954168828 /nfs/dbraw/zinc/16/88/28/954168828.db2.gz LLWBERJBBLHYCN-JQHSSLGASA-N -1 3 377.485 1.741 20 10 GDCDHM COc1ccc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1Cn1cccn1 ZINC001594094514 958388039 /nfs/dbraw/zinc/38/80/39/958388039.db2.gz JBFALXINZHRRQA-QGZVFWFLSA-N -1 3 386.452 1.495 20 10 GDCDHM COc1ccc(N2CC[C@H](CNC(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)C2)cc1 ZINC001599586147 993616383 /nfs/dbraw/zinc/61/63/83/993616383.db2.gz MAGNWKICJCGCRO-CVEARBPZSA-N -1 3 390.484 1.179 20 10 GDCDHM CCN(CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)ccc1[O-] ZINC000174424865 530647666 /nfs/dbraw/zinc/64/76/66/530647666.db2.gz OHEVCZQGJYTYKP-UHFFFAOYSA-N -1 3 398.301 1.715 20 10 GDCDHM COC(=O)CN(CCN1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000179586677 530745279 /nfs/dbraw/zinc/74/52/79/530745279.db2.gz WODKFBSZCROPSK-UHFFFAOYSA-N -1 3 387.274 1.462 20 10 GDCDHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134267173 531098455 /nfs/dbraw/zinc/09/84/55/531098455.db2.gz XVPDZCISNWNEGL-WFASDCNBSA-N -1 3 388.917 1.807 20 10 GDCDHM CS(=O)(=O)CC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CC1 ZINC000277584353 531295736 /nfs/dbraw/zinc/29/57/36/531295736.db2.gz GDHOZWNYQMBCIY-UHFFFAOYSA-N -1 3 386.857 1.635 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCNS(C)(=O)=O ZINC000266678608 531362412 /nfs/dbraw/zinc/36/24/12/531362412.db2.gz QGTJTJWKJLTKRK-UHFFFAOYSA-N -1 3 394.291 1.235 20 10 GDCDHM CS(=O)(=O)c1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000278600417 531371283 /nfs/dbraw/zinc/37/12/83/531371283.db2.gz LTDYSOYUOKXDFU-CYBMUJFWSA-N -1 3 383.495 1.828 20 10 GDCDHM O=C(CN1CSCC1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363709660 531503253 /nfs/dbraw/zinc/50/32/53/531503253.db2.gz MMKCFKBJWZVQDJ-CQSZACIVSA-N -1 3 383.901 1.659 20 10 GDCDHM COC(=O)[C@H](OC(=O)c1ccc(C)c(O)c1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900551 598899901 /nfs/dbraw/zinc/89/99/01/598899901.db2.gz SKNUNSXRUBSVBK-OAHLLOKOSA-N -1 3 384.348 1.657 20 10 GDCDHM COC(=O)[C@H](OC(=O)c1ccc(C)c(O)c1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900551 598899902 /nfs/dbraw/zinc/89/99/02/598899902.db2.gz SKNUNSXRUBSVBK-OAHLLOKOSA-N -1 3 384.348 1.657 20 10 GDCDHM O=S1(=O)CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000738359434 598394054 /nfs/dbraw/zinc/39/40/54/598394054.db2.gz RGRJIMVYEHEMPA-UHFFFAOYSA-N -1 3 385.453 1.109 20 10 GDCDHM O=S1(=O)CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000738359434 598394056 /nfs/dbraw/zinc/39/40/56/598394056.db2.gz RGRJIMVYEHEMPA-UHFFFAOYSA-N -1 3 385.453 1.109 20 10 GDCDHM Cc1ccc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(O)c1O ZINC000737316128 598409937 /nfs/dbraw/zinc/40/99/37/598409937.db2.gz SZURVOVTFWKOHB-AWEZNQCLSA-N -1 3 395.375 1.549 20 10 GDCDHM Cc1ccc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(O)c1O ZINC000737316128 598409939 /nfs/dbraw/zinc/40/99/39/598409939.db2.gz SZURVOVTFWKOHB-AWEZNQCLSA-N -1 3 395.375 1.549 20 10 GDCDHM O=C(Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1)C1=S=CC=C1 ZINC000738174552 598452166 /nfs/dbraw/zinc/45/21/66/598452166.db2.gz UBOIWBIHHURURX-UHFFFAOYSA-N -1 3 391.416 1.730 20 10 GDCDHM O=C(Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1)C1=S=CC=C1 ZINC000738174552 598452168 /nfs/dbraw/zinc/45/21/68/598452168.db2.gz UBOIWBIHHURURX-UHFFFAOYSA-N -1 3 391.416 1.730 20 10 GDCDHM Cc1cc(C(=O)NCCC(=O)N(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234478 598610503 /nfs/dbraw/zinc/61/05/03/598610503.db2.gz LOPWSIFPXYKHLR-UHFFFAOYSA-N -1 3 381.440 1.482 20 10 GDCDHM Cc1cc(C(=O)OCCn2cncn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240093 598623151 /nfs/dbraw/zinc/62/31/51/598623151.db2.gz DAKANGVTGDOXPV-UHFFFAOYSA-N -1 3 378.396 1.723 20 10 GDCDHM Cc1nnc(CN2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)n1C ZINC000738931734 600559752 /nfs/dbraw/zinc/55/97/52/600559752.db2.gz MCUUZHFIFRJAOL-UHFFFAOYSA-N -1 3 395.463 1.998 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826210598 607637553 /nfs/dbraw/zinc/63/75/53/607637553.db2.gz XPASWHYOOGDJOG-UHFFFAOYSA-N -1 3 375.410 1.368 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826210598 607637556 /nfs/dbraw/zinc/63/75/56/607637556.db2.gz XPASWHYOOGDJOG-UHFFFAOYSA-N -1 3 375.410 1.368 20 10 GDCDHM CN1CCC[C@H]1C(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935153 604278485 /nfs/dbraw/zinc/27/84/85/604278485.db2.gz QTLIEVZZNGKXAK-YERXGYGTSA-N -1 3 388.424 1.435 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2F)C[C@H](C)O1 ZINC000824991947 607700576 /nfs/dbraw/zinc/70/05/76/607700576.db2.gz IHHFLMZJXZUPBQ-TXEJJXNPSA-N -1 3 399.430 1.878 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2F)C[C@H](C)O1 ZINC000824991947 607700577 /nfs/dbraw/zinc/70/05/77/607700577.db2.gz IHHFLMZJXZUPBQ-TXEJJXNPSA-N -1 3 399.430 1.878 20 10 GDCDHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000529666566 649950578 /nfs/dbraw/zinc/95/05/78/649950578.db2.gz WGAXNZNGZXYEET-UHFFFAOYSA-N -1 3 384.274 1.325 20 10 GDCDHM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000833640481 605120576 /nfs/dbraw/zinc/12/05/76/605120576.db2.gz YQOQMEGKUPYYGM-DOXZYTNZSA-N -1 3 377.485 1.789 20 10 GDCDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823252976 606496310 /nfs/dbraw/zinc/49/63/10/606496310.db2.gz BZCKMBXOLRJCER-UHFFFAOYSA-N -1 3 388.428 1.834 20 10 GDCDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823252976 606496311 /nfs/dbraw/zinc/49/63/11/606496311.db2.gz BZCKMBXOLRJCER-UHFFFAOYSA-N -1 3 388.428 1.834 20 10 GDCDHM COc1ccc(N2CCN(C(=O)Cn3cc(C)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831754 607021411 /nfs/dbraw/zinc/02/14/11/607021411.db2.gz LNGFQQJPAXRQMC-UHFFFAOYSA-N -1 3 381.440 1.334 20 10 GDCDHM COc1ccc(N2CCN(C(=O)Cn3cc(C)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821831754 607021412 /nfs/dbraw/zinc/02/14/12/607021412.db2.gz LNGFQQJPAXRQMC-UHFFFAOYSA-N -1 3 381.440 1.334 20 10 GDCDHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000824999580 608834145 /nfs/dbraw/zinc/83/41/45/608834145.db2.gz IBABHCDZCMNAIV-ZDUSSCGKSA-N -1 3 397.462 1.573 20 10 GDCDHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000824999580 608834148 /nfs/dbraw/zinc/83/41/48/608834148.db2.gz IBABHCDZCMNAIV-ZDUSSCGKSA-N -1 3 397.462 1.573 20 10 GDCDHM c1ccn2c(c1)nc(NCc1ccc(N3CCOCC3)cc1)c2-c1nnn[n-]1 ZINC000826524825 609465903 /nfs/dbraw/zinc/46/59/03/609465903.db2.gz LSOKKIDZBVNOCV-UHFFFAOYSA-N -1 3 376.424 1.963 20 10 GDCDHM c1ccn2c(c1)nc(NCc1ccc(N3CCOCC3)cc1)c2-c1nn[n-]n1 ZINC000826524825 609465904 /nfs/dbraw/zinc/46/59/04/609465904.db2.gz LSOKKIDZBVNOCV-UHFFFAOYSA-N -1 3 376.424 1.963 20 10 GDCDHM CN(C)S(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000742025377 654694256 /nfs/dbraw/zinc/69/42/56/654694256.db2.gz DXPXGOAYCKLQOB-UHFFFAOYSA-N -1 3 391.421 1.984 20 10 GDCDHM CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781907758 654820215 /nfs/dbraw/zinc/82/02/15/654820215.db2.gz FFPFWEOZRYZVKO-GFCCVEGCSA-N -1 3 377.304 1.977 20 10 GDCDHM CN(C)S(=O)(=O)n1ccnc1CNCc1cc(Br)ccc1[O-] ZINC000811506419 655199025 /nfs/dbraw/zinc/19/90/25/655199025.db2.gz SUIMDAGQPDGZIU-UHFFFAOYSA-N -1 3 389.275 1.296 20 10 GDCDHM C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)cc(F)c1[O-] ZINC000858570431 655749428 /nfs/dbraw/zinc/74/94/28/655749428.db2.gz YVWMPPJVVMIYNT-QMMMGPOBSA-N -1 3 396.282 1.435 20 10 GDCDHM Cc1cc(Br)c([O-])c(CNCCS(=O)(=O)N=S(C)(C)=O)c1 ZINC000922494033 656484779 /nfs/dbraw/zinc/48/47/79/656484779.db2.gz YGBJJVMGYTXLQT-UHFFFAOYSA-N -1 3 399.332 1.610 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000928138707 656877760 /nfs/dbraw/zinc/87/77/60/656877760.db2.gz MHBQLLAJZPCMGE-LLVKDONJSA-N -1 3 384.401 1.884 20 10 GDCDHM Cc1ccnc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1-c1nnn[n-]1 ZINC000826314049 947915279 /nfs/dbraw/zinc/91/52/79/947915279.db2.gz DDPMNNXSTCDACE-OAHLLOKOSA-N -1 3 392.467 1.884 20 10 GDCDHM Cc1ccnc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1-c1nn[n-]n1 ZINC000826314049 947915285 /nfs/dbraw/zinc/91/52/85/947915285.db2.gz DDPMNNXSTCDACE-OAHLLOKOSA-N -1 3 392.467 1.884 20 10 GDCDHM CN(C)c1ccc([C@@H](CNC(=O)C2(CC(=O)[O-])CCOCC2)N(C)C)cc1 ZINC001573991980 961839610 /nfs/dbraw/zinc/83/96/10/961839610.db2.gz ZXSZLQBBEPVPTM-QGZVFWFLSA-N -1 3 377.485 1.743 20 10 GDCDHM C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000187780176 530878397 /nfs/dbraw/zinc/87/83/97/530878397.db2.gz UYTNMCZPMAGKDB-NWDGAFQWSA-N -1 3 378.441 1.810 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)Nc1ccn(C)n1 ZINC000131418215 531071469 /nfs/dbraw/zinc/07/14/69/531071469.db2.gz PKJAYTINWSGFFA-UHFFFAOYSA-N -1 3 381.230 1.875 20 10 GDCDHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]Cc2cccc(OC)c2O)s1 ZINC000269793035 531760373 /nfs/dbraw/zinc/76/03/73/531760373.db2.gz NJBGHUQWZRESOW-UHFFFAOYSA-N -1 3 387.435 1.736 20 10 GDCDHM CO[C@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000374230909 532115301 /nfs/dbraw/zinc/11/53/01/532115301.db2.gz PDXYMONWRZTLLC-DOMZBBRYSA-N -1 3 376.906 1.964 20 10 GDCDHM Cc1cc(C(=O)O[C@H]2CCN(C)C2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238562 599185487 /nfs/dbraw/zinc/18/54/87/599185487.db2.gz PCJSVEFIMYVTDY-INIZCTEOSA-N -1 3 380.408 1.662 20 10 GDCDHM COc1cc(Br)cc(C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820755009 597705960 /nfs/dbraw/zinc/70/59/60/597705960.db2.gz PVASHOYGQCMKLB-VIFPVBQESA-N -1 3 389.246 1.575 20 10 GDCDHM COc1cc(Br)cc(C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820755009 597705963 /nfs/dbraw/zinc/70/59/63/597705963.db2.gz PVASHOYGQCMKLB-VIFPVBQESA-N -1 3 389.246 1.575 20 10 GDCDHM COc1cccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737130154 598321091 /nfs/dbraw/zinc/32/10/91/598321091.db2.gz DDMVAOCAVGRGQK-MRXNPFEDSA-N -1 3 394.435 1.866 20 10 GDCDHM Cc1cc(C(=O)N(C)CC(=O)NC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227664 598610236 /nfs/dbraw/zinc/61/02/36/598610236.db2.gz OVOSBKXZAANIGQ-UHFFFAOYSA-N -1 3 395.467 1.871 20 10 GDCDHM COC(=O)[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736892282 598611358 /nfs/dbraw/zinc/61/13/58/598611358.db2.gz OLWPRVZZULNUNJ-LLVKDONJSA-N -1 3 382.424 1.813 20 10 GDCDHM Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235470 598618749 /nfs/dbraw/zinc/61/87/49/598618749.db2.gz ZGBJVWDWKQXSDL-QGZVFWFLSA-N -1 3 393.451 1.754 20 10 GDCDHM COCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821685697 599498223 /nfs/dbraw/zinc/49/82/23/599498223.db2.gz MRTSHEHKQFWUAZ-HXUWFJFHSA-N -1 3 398.467 1.792 20 10 GDCDHM O=C(NCCCSc1nccs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823197945 606612303 /nfs/dbraw/zinc/61/23/03/606612303.db2.gz WSNYOGHILSSZEI-UHFFFAOYSA-N -1 3 389.466 1.560 20 10 GDCDHM O=C(NCCCSc1nccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823197945 606612304 /nfs/dbraw/zinc/61/23/04/606612304.db2.gz WSNYOGHILSSZEI-UHFFFAOYSA-N -1 3 389.466 1.560 20 10 GDCDHM CCN(C(=O)C=Cc1cncc(C(=O)NC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825366614 607799554 /nfs/dbraw/zinc/79/95/54/607799554.db2.gz CNHSFUDHGHAAHH-WTKPLQERSA-N -1 3 377.408 1.688 20 10 GDCDHM CCN(C(=O)C=Cc1cncc(C(=O)NC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825366614 607799555 /nfs/dbraw/zinc/79/95/55/607799555.db2.gz CNHSFUDHGHAAHH-WTKPLQERSA-N -1 3 377.408 1.688 20 10 GDCDHM COc1cccc(CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1O ZINC000826216075 608334711 /nfs/dbraw/zinc/33/47/11/608334711.db2.gz JOQPZQYXTJBBSI-UHFFFAOYSA-N -1 3 393.400 1.340 20 10 GDCDHM COc1cccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1O ZINC000826216075 608334712 /nfs/dbraw/zinc/33/47/12/608334712.db2.gz JOQPZQYXTJBBSI-UHFFFAOYSA-N -1 3 393.400 1.340 20 10 GDCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023397961 644270230 /nfs/dbraw/zinc/27/02/30/644270230.db2.gz QUJJIBDLURRQSX-UHFFFAOYSA-N -1 3 383.451 1.817 20 10 GDCDHM CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781909991 654820126 /nfs/dbraw/zinc/82/01/26/654820126.db2.gz SJLLTBRVQIBRED-GFCCVEGCSA-N -1 3 377.304 1.977 20 10 GDCDHM CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781907762 654820169 /nfs/dbraw/zinc/82/01/69/654820169.db2.gz FFPFWEOZRYZVKO-LBPRGKRZSA-N -1 3 377.304 1.977 20 10 GDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801523320 654926822 /nfs/dbraw/zinc/92/68/22/654926822.db2.gz OPBRQEHLUVOCAU-GFCCVEGCSA-N -1 3 390.889 1.302 20 10 GDCDHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804372509 654993365 /nfs/dbraw/zinc/99/33/65/654993365.db2.gz MHMRKQHZAGFEAB-PRHODGIISA-N -1 3 382.360 1.556 20 10 GDCDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(O)c1O ZINC000790903654 655061246 /nfs/dbraw/zinc/06/12/46/655061246.db2.gz KKUOMKHSZLAIGW-UHFFFAOYSA-N -1 3 376.843 1.521 20 10 GDCDHM CNS(=O)(=O)C[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000862550125 655847201 /nfs/dbraw/zinc/84/72/01/655847201.db2.gz BWEXBGBMZOAFHJ-NSHDSACASA-N -1 3 377.304 1.916 20 10 GDCDHM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000866543584 655948697 /nfs/dbraw/zinc/94/86/97/655948697.db2.gz SXDFRXUPOOCXFX-UHFFFAOYSA-N -1 3 393.506 1.505 20 10 GDCDHM CO[C@]1(C(F)(F)F)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000881682327 656944732 /nfs/dbraw/zinc/94/47/32/656944732.db2.gz DLDOZYRUAUQIET-CYBMUJFWSA-N -1 3 382.360 1.557 20 10 GDCDHM COC(=O)c1c(CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001593867106 955589682 /nfs/dbraw/zinc/58/96/82/955589682.db2.gz YDUBPKZGRSZUFP-WLRWDXFRSA-N -1 3 376.384 1.637 20 10 GDCDHM C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(N2CCOCC2)cc1 ZINC001593238156 994417151 /nfs/dbraw/zinc/41/71/51/994417151.db2.gz XCVQAGJOUCREAD-CQSZACIVSA-N -1 3 384.436 1.906 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](N)CCS(C)(=O)=O ZINC000236918433 531041264 /nfs/dbraw/zinc/04/12/64/531041264.db2.gz LYBDFEOMDGKDQL-GFCCVEGCSA-N -1 3 393.303 1.265 20 10 GDCDHM O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000265259914 531238550 /nfs/dbraw/zinc/23/85/50/531238550.db2.gz QMNHFDICCXQDAB-KGLIPLIRSA-N -1 3 395.308 1.286 20 10 GDCDHM COC[C@H](C)OC[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000278211810 531343196 /nfs/dbraw/zinc/34/31/96/531343196.db2.gz DEWHGJOGXURPLH-WFASDCNBSA-N -1 3 375.849 1.433 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1C(=O)CN(C)C1=O ZINC000268483257 531519673 /nfs/dbraw/zinc/51/96/73/531519673.db2.gz JOQUXQGZIOBJSV-UHFFFAOYSA-N -1 3 384.230 1.397 20 10 GDCDHM O=S(=O)(C[C@H]1CCOC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364435741 531565241 /nfs/dbraw/zinc/56/52/41/531565241.db2.gz XWMRHEDEDOZTAW-BBRMVZONSA-N -1 3 388.917 1.966 20 10 GDCDHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736779967 598868076 /nfs/dbraw/zinc/86/80/76/598868076.db2.gz NVYRWLJYVRSNHJ-UHFFFAOYSA-N -1 3 376.417 1.550 20 10 GDCDHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736779967 598868079 /nfs/dbraw/zinc/86/80/79/598868079.db2.gz NVYRWLJYVRSNHJ-UHFFFAOYSA-N -1 3 376.417 1.550 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737270646 599148142 /nfs/dbraw/zinc/14/81/42/599148142.db2.gz NVLODIQIZSCAAA-UHFFFAOYSA-N -1 3 395.471 1.547 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737270646 599148143 /nfs/dbraw/zinc/14/81/43/599148143.db2.gz NVLODIQIZSCAAA-UHFFFAOYSA-N -1 3 395.471 1.547 20 10 GDCDHM CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821610757 607334279 /nfs/dbraw/zinc/33/42/79/607334279.db2.gz DDZHQESUNMFBLM-UHFFFAOYSA-N -1 3 397.414 1.669 20 10 GDCDHM CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821610757 607334280 /nfs/dbraw/zinc/33/42/80/607334280.db2.gz DDZHQESUNMFBLM-UHFFFAOYSA-N -1 3 397.414 1.669 20 10 GDCDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000737775538 598259520 /nfs/dbraw/zinc/25/95/20/598259520.db2.gz ALBOHQVZKRZNJE-UHFFFAOYSA-N -1 3 376.380 1.270 20 10 GDCDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000737775538 598259522 /nfs/dbraw/zinc/25/95/22/598259522.db2.gz ALBOHQVZKRZNJE-UHFFFAOYSA-N -1 3 376.380 1.270 20 10 GDCDHM Cc1cc(C(=O)N2CCn3cnnc3C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234916 598346136 /nfs/dbraw/zinc/34/61/36/598346136.db2.gz SHLKPBAKFOFYLW-UHFFFAOYSA-N -1 3 389.423 1.522 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736881989 598657985 /nfs/dbraw/zinc/65/79/85/598657985.db2.gz MPWPQCDSRIJPIC-ZZXKWVIFSA-N -1 3 381.371 1.437 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736881989 598657986 /nfs/dbraw/zinc/65/79/86/598657986.db2.gz MPWPQCDSRIJPIC-ZZXKWVIFSA-N -1 3 381.371 1.437 20 10 GDCDHM Cc1cc(C(=O)N(CC(N)=O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228397 598749981 /nfs/dbraw/zinc/74/99/81/598749981.db2.gz YLGUHWVLMCEXSJ-UHFFFAOYSA-N -1 3 381.440 1.610 20 10 GDCDHM O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823229380 599615388 /nfs/dbraw/zinc/61/53/88/599615388.db2.gz OJFMLNNTQBHCQL-UHFFFAOYSA-N -1 3 392.419 1.706 20 10 GDCDHM O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823229380 599615390 /nfs/dbraw/zinc/61/53/90/599615390.db2.gz OJFMLNNTQBHCQL-UHFFFAOYSA-N -1 3 392.419 1.706 20 10 GDCDHM COC(=O)CN(Cc1ccnc(-c2nnn[n-]2)c1)Cc1cc(Cl)ccc1O ZINC000826138279 607519273 /nfs/dbraw/zinc/51/92/73/607519273.db2.gz NNPQYKVLCHPCCU-UHFFFAOYSA-N -1 3 388.815 1.796 20 10 GDCDHM COc1ccc(N(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826209226 607753975 /nfs/dbraw/zinc/75/39/75/607753975.db2.gz SDOMXSDMWCKCQJ-UHFFFAOYSA-N -1 3 382.424 1.637 20 10 GDCDHM COc1ccc(N(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826209226 607753976 /nfs/dbraw/zinc/75/39/76/607753976.db2.gz SDOMXSDMWCKCQJ-UHFFFAOYSA-N -1 3 382.424 1.637 20 10 GDCDHM COc1ccc(N2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000821831641 606624741 /nfs/dbraw/zinc/62/47/41/606624741.db2.gz HDTMYLOZVSAYMH-UHFFFAOYSA-N -1 3 396.426 1.906 20 10 GDCDHM COc1ccc(N2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000821831641 606624742 /nfs/dbraw/zinc/62/47/42/606624742.db2.gz HDTMYLOZVSAYMH-UHFFFAOYSA-N -1 3 396.426 1.906 20 10 GDCDHM Cc1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177158 606799926 /nfs/dbraw/zinc/79/99/26/606799926.db2.gz VPRAZHHTTFFEHI-UHFFFAOYSA-N -1 3 390.407 1.954 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825880042 608087726 /nfs/dbraw/zinc/08/77/26/608087726.db2.gz VONRNSYTUYOJJJ-UHFFFAOYSA-N -1 3 385.453 1.832 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825880042 608087727 /nfs/dbraw/zinc/08/77/27/608087727.db2.gz VONRNSYTUYOJJJ-UHFFFAOYSA-N -1 3 385.453 1.832 20 10 GDCDHM Cc1cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257820 608187765 /nfs/dbraw/zinc/18/77/65/608187765.db2.gz PNXKIZCACHNYIM-GUYCJALGSA-N -1 3 396.451 1.496 20 10 GDCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000826276506 608277187 /nfs/dbraw/zinc/27/71/87/608277187.db2.gz JICWCTFUVRPQJW-HNNXBMFYSA-N -1 3 392.467 1.884 20 10 GDCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000826276506 608277189 /nfs/dbraw/zinc/27/71/89/608277189.db2.gz JICWCTFUVRPQJW-HNNXBMFYSA-N -1 3 392.467 1.884 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2F)C[C@@H](C)O1 ZINC000824991445 609199071 /nfs/dbraw/zinc/19/90/71/609199071.db2.gz 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O=C(CN1CCN(Cc2c([O-])cccc2Br)CC1)N1CCCC1 ZINC000862213692 655842123 /nfs/dbraw/zinc/84/21/23/655842123.db2.gz VEKIUTUDQPXFML-UHFFFAOYSA-N -1 3 382.302 1.895 20 10 GDCDHM COc1ccc(N2CCC([N-]S(=O)(=O)N=S3(=O)CCCC3)CC2)cc1 ZINC000866708060 655955648 /nfs/dbraw/zinc/95/56/48/655955648.db2.gz COIHVOFUYGTQDD-UHFFFAOYSA-N -1 3 387.527 1.760 20 10 GDCDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000867429052 656059359 /nfs/dbraw/zinc/05/93/59/656059359.db2.gz UAAJDNFQZMBPLF-NPMABZOXSA-N -1 3 375.516 1.474 20 10 GDCDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897607601 658872809 /nfs/dbraw/zinc/87/28/09/658872809.db2.gz NHSNVFBAKDBELK-SCZZXKLOSA-N -1 3 381.267 1.650 20 10 GDCDHM Cc1ccnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1-c1nnn[n-]1 ZINC000826314048 947915051 /nfs/dbraw/zinc/91/50/51/947915051.db2.gz DDPMNNXSTCDACE-HNNXBMFYSA-N -1 3 392.467 1.884 20 10 GDCDHM Cc1ccnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1-c1nn[n-]n1 ZINC000826314048 947915061 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GDCDHM CN(C)c1ccc([C@H](CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)N(C)C)cc1 ZINC001593708933 954168607 /nfs/dbraw/zinc/16/86/07/954168607.db2.gz LLWBERJBBLHYCN-NJAFHUGGSA-N -1 3 377.485 1.741 20 10 GDCDHM COc1cc(O)c(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1OC ZINC001326727611 957329956 /nfs/dbraw/zinc/32/99/56/957329956.db2.gz FFVXDNUJKQKXKP-ZDUSSCGKSA-N -1 3 378.425 1.307 20 10 GDCDHM COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001340571058 957938313 /nfs/dbraw/zinc/93/83/13/957938313.db2.gz SMCFGDBVGPRBGF-FXAWDEMLSA-N -1 3 392.500 1.488 20 10 GDCDHM C[C@@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001593776492 996477840 /nfs/dbraw/zinc/47/78/40/996477840.db2.gz KHCNAEQVZSSHCJ-HXUWFJFHSA-N -1 3 393.459 1.465 20 10 GDCDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCc2cccc(OC)c2O)s1 ZINC000266686770 531362266 /nfs/dbraw/zinc/36/22/66/531362266.db2.gz SLLXJHVFCZBPHK-UHFFFAOYSA-N -1 3 385.467 1.370 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000269122781 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GDCDHM CN(C)c1ccc([C@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)N(C)C)cc1 ZINC001598313660 991290496 /nfs/dbraw/zinc/29/04/96/991290496.db2.gz UFISESVLRVMRNM-IRXDYDNUSA-N -1 3 378.473 1.240 20 10 GDCDHM C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257230 994526813 /nfs/dbraw/zinc/52/68/13/994526813.db2.gz MOXBWYAYNOKSKJ-HNNXBMFYSA-N -1 3 398.463 1.875 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1CCCS1(=O)=O ZINC000175842656 530671552 /nfs/dbraw/zinc/67/15/52/530671552.db2.gz TUAYHOXKBVYBPL-UHFFFAOYSA-N -1 3 391.287 1.539 20 10 GDCDHM CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000181556411 530786809 /nfs/dbraw/zinc/78/68/09/530786809.db2.gz UUQAHNIZZYYJGJ-GFCCVEGCSA-N -1 3 393.303 1.677 20 10 GDCDHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134267151 531098467 /nfs/dbraw/zinc/09/84/67/531098467.db2.gz XVPDZCISNWNEGL-IUODEOHRSA-N -1 3 388.917 1.807 20 10 GDCDHM CS(=O)(=O)c1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000278600424 531371785 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CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000751086785 654871711 /nfs/dbraw/zinc/87/17/11/654871711.db2.gz VVHJHNAOSHRYIN-UHFFFAOYSA-N -1 3 390.512 1.812 20 10 GDCDHM O=S1(=O)CC[C@@H](N2CCN(Cc3c([O-])cccc3Br)CC2)C1 ZINC000862214304 655842141 /nfs/dbraw/zinc/84/21/41/655842141.db2.gz MULMMLMHJFTLEK-GFCCVEGCSA-N -1 3 389.315 1.459 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1nc[n-]c1Br ZINC000866899708 655975089 /nfs/dbraw/zinc/97/50/89/655975089.db2.gz WDUHHBNILYPNOF-UHFFFAOYSA-N -1 3 387.259 1.826 20 10 GDCDHM CS(C)(=O)=NS(=O)(=O)CCNCc1cccc(Br)c1[O-] ZINC000922491903 656483237 /nfs/dbraw/zinc/48/32/37/656483237.db2.gz FZOTUDXGPALBRE-UHFFFAOYSA-N -1 3 385.305 1.302 20 10 GDCDHM O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)NCc1c([O-])cccc1F ZINC000928710867 656923208 /nfs/dbraw/zinc/92/32/08/656923208.db2.gz NZMMFJWSNKWBAW-SNVBAGLBSA-N -1 3 384.454 1.749 20 10 GDCDHM CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2ncn(C)c2Cl)N(C)C)cc1 ZINC000908458614 659910194 /nfs/dbraw/zinc/91/01/94/659910194.db2.gz 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CN(C)c1ccc([C@H](CNC(=O)C2(CC(=O)[O-])CCOCC2)N(C)C)cc1 ZINC001573991979 961838303 /nfs/dbraw/zinc/83/83/03/961838303.db2.gz ZXSZLQBBEPVPTM-KRWDZBQOSA-N -1 3 377.485 1.743 20 10 GDCDHM CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)cc2=O ZINC001596744293 985061147 /nfs/dbraw/zinc/06/11/47/985061147.db2.gz QBNHONLSXOEHPA-ZSBIGDGJSA-N -1 3 376.413 1.685 20 10 GDCDHM COc1ccc(N2CCN(C(=O)CN3CCC[C@](C)(C(=O)[O-])C3)CC2)cc1 ZINC001599585647 993609831 /nfs/dbraw/zinc/60/98/31/993609831.db2.gz VEDZEBHPVLQBQM-FQEVSTJZSA-N -1 3 375.469 1.531 20 10 GDCDHM C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593195211 994145562 /nfs/dbraw/zinc/14/55/62/994145562.db2.gz CFGHBARASLOJFI-JKSUJKDBSA-N -1 3 389.496 1.886 20 10 GDCDHM COc1cc(C)c(C[NH2+][C@@H]2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)c([O-])c1 ZINC001599391309 997040952 /nfs/dbraw/zinc/04/09/52/997040952.db2.gz QTDNPXNRQIFTPQ-YNAXMUEKSA-N -1 3 383.466 1.609 20 10 GDCDHM COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)ccc21 ZINC001599267547 998494190 /nfs/dbraw/zinc/49/41/90/998494190.db2.gz FOBHTIDFNUWVLK-QGZVFWFLSA-N -1 3 387.480 1.993 20 10 GDCDHM CNS(=O)(=O)[C@H]1CCCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000362237092 531458777 /nfs/dbraw/zinc/45/87/77/531458777.db2.gz ISROARUFXPCKIN-ZDUSSCGKSA-N -1 3 377.304 1.977 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)CCCCO ZINC000297749604 531818268 /nfs/dbraw/zinc/81/82/68/531818268.db2.gz HGLSTVGGYDCMFL-UHFFFAOYSA-N -1 3 387.274 1.734 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000297882570 531829968 /nfs/dbraw/zinc/82/99/68/531829968.db2.gz OYUALVQHRBKDDV-NWDGAFQWSA-N -1 3 399.285 1.733 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCCC(C)(C)O ZINC000288035103 532259303 /nfs/dbraw/zinc/25/93/03/532259303.db2.gz NZCGNQDZIIZFLW-UHFFFAOYSA-N -1 3 387.274 1.780 20 10 GDCDHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCCSc1nccs1 ZINC000738328440 599236361 /nfs/dbraw/zinc/23/63/61/599236361.db2.gz BLOKWMKJGCKHTI-UHFFFAOYSA-N -1 3 396.523 1.925 20 10 GDCDHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCSc1nccs1 ZINC000738328440 599236363 /nfs/dbraw/zinc/23/63/63/599236363.db2.gz BLOKWMKJGCKHTI-UHFFFAOYSA-N -1 3 396.523 1.925 20 10 GDCDHM Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cccc1-c1nnn[n-]1 ZINC000822061821 607275753 /nfs/dbraw/zinc/27/57/53/607275753.db2.gz YVXMENNDLRWRND-UHFFFAOYSA-N -1 3 397.414 1.635 20 10 GDCDHM Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cccc1-c1nn[n-]n1 ZINC000822061821 607275754 /nfs/dbraw/zinc/27/57/54/607275754.db2.gz YVXMENNDLRWRND-UHFFFAOYSA-N -1 3 397.414 1.635 20 10 GDCDHM CC(=O)NCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735473855 598610166 /nfs/dbraw/zinc/61/01/66/598610166.db2.gz KDXFZAFCDFPGDK-UHFFFAOYSA-N -1 3 381.440 1.530 20 10 GDCDHM Cc1cc(C(=O)NCCS(C)(=O)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237021 598610937 /nfs/dbraw/zinc/61/09/37/598610937.db2.gz ZNPLEOIUKFWOLE-UHFFFAOYSA-N -1 3 388.453 1.049 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736881985 598657887 /nfs/dbraw/zinc/65/78/87/598657887.db2.gz MPWPQCDSRIJPIC-UTCJRWHESA-N -1 3 381.371 1.437 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736881985 598657888 /nfs/dbraw/zinc/65/78/88/598657888.db2.gz MPWPQCDSRIJPIC-UTCJRWHESA-N -1 3 381.371 1.437 20 10 GDCDHM CC[NH+]1CCC(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC000829760864 601633993 /nfs/dbraw/zinc/63/39/93/601633993.db2.gz YHSKSESPTJIKSY-UHFFFAOYSA-N -1 3 383.876 1.533 20 10 GDCDHM COc1ccc(O)c(CNC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826210519 607621956 /nfs/dbraw/zinc/62/19/56/607621956.db2.gz VAXGQPHVHKIPGS-UHFFFAOYSA-N -1 3 384.396 1.589 20 10 GDCDHM COc1ccc(O)c(CNC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826210519 607621958 /nfs/dbraw/zinc/62/19/58/607621958.db2.gz VAXGQPHVHKIPGS-UHFFFAOYSA-N -1 3 384.396 1.589 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826210145 607631777 /nfs/dbraw/zinc/63/17/77/607631777.db2.gz GGNIQPUBVZXXDB-NSHDSACASA-N -1 3 389.437 1.762 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210145 607631779 /nfs/dbraw/zinc/63/17/79/607631779.db2.gz GGNIQPUBVZXXDB-NSHDSACASA-N -1 3 389.437 1.762 20 10 GDCDHM O=C(O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)C1=CC(=O)CS1 ZINC000823392994 606377462 /nfs/dbraw/zinc/37/74/62/606377462.db2.gz VODAZXGYQROAQP-VIFPVBQESA-N -1 3 377.407 1.658 20 10 GDCDHM O=C(O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)C1=CC(=O)CS1 ZINC000823392994 606377463 /nfs/dbraw/zinc/37/74/63/606377463.db2.gz VODAZXGYQROAQP-VIFPVBQESA-N -1 3 377.407 1.658 20 10 GDCDHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(N(C)C)cc1 ZINC000824999544 608834588 /nfs/dbraw/zinc/83/45/88/608834588.db2.gz HLZOAKYVKBUYSQ-CQSZACIVSA-N -1 3 379.472 1.433 20 10 GDCDHM O=C(NCC(F)F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000768077133 655313737 /nfs/dbraw/zinc/31/37/37/655313737.db2.gz FDBAHUNZTKZNLI-LBPRGKRZSA-N -1 3 375.803 1.508 20 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/nfs/dbraw/zinc/94/85/64/655948564.db2.gz WLSMYIWAHOYSCX-RYUDHWBXSA-N -1 3 393.506 1.501 20 10 GDCDHM CN1CCN(CCNC(=O)NCc2cccc(Br)c2[O-])CC1(C)C ZINC000282286809 531733142 /nfs/dbraw/zinc/73/31/42/531733142.db2.gz QJHIIYNCKXMTSY-UHFFFAOYSA-N -1 3 399.333 1.980 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737269632 598876055 /nfs/dbraw/zinc/87/60/55/598876055.db2.gz FCIMTVLKZYMJGO-UHFFFAOYSA-N -1 3 390.444 1.859 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737269632 598876057 /nfs/dbraw/zinc/87/60/57/598876057.db2.gz FCIMTVLKZYMJGO-UHFFFAOYSA-N -1 3 390.444 1.859 20 10 GDCDHM COc1ccc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737099288 599065361 /nfs/dbraw/zinc/06/53/61/599065361.db2.gz LQBFBUNCVPZIDP-SFHVURJKSA-N -1 3 393.451 1.224 20 10 GDCDHM COc1ccc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737099288 599065364 /nfs/dbraw/zinc/06/53/64/599065364.db2.gz LQBFBUNCVPZIDP-SFHVURJKSA-N -1 3 393.451 1.224 20 10 GDCDHM CC[C@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736394674 598401822 /nfs/dbraw/zinc/40/18/22/598401822.db2.gz DCIWRTHRKIACRF-KRWDZBQOSA-N -1 3 393.451 1.625 20 10 GDCDHM Cc1cc(C(=O)NCC(C)(C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234381 598610437 /nfs/dbraw/zinc/61/04/37/598610437.db2.gz KFYYRIOXSJQNFE-UHFFFAOYSA-N -1 3 381.440 1.516 20 10 GDCDHM Cc1cc(C(=O)NCC(=O)NC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235657 598610763 /nfs/dbraw/zinc/61/07/63/598610763.db2.gz XONJDAXIQJODBV-UHFFFAOYSA-N -1 3 381.440 1.529 20 10 GDCDHM COC(=O)[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736892289 598611473 /nfs/dbraw/zinc/61/14/73/598611473.db2.gz OLWPRVZZULNUNJ-NSHDSACASA-N -1 3 382.424 1.813 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000737106317 598779296 /nfs/dbraw/zinc/77/92/96/598779296.db2.gz RAXHJNASOQIGBO-NSHDSACASA-N -1 3 399.407 1.846 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000737106317 598779298 /nfs/dbraw/zinc/77/92/98/598779298.db2.gz RAXHJNASOQIGBO-NSHDSACASA-N -1 3 399.407 1.846 20 10 GDCDHM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736870064 598820115 /nfs/dbraw/zinc/82/01/15/598820115.db2.gz DVUHOYRKQWQIDR-KRWDZBQOSA-N -1 3 393.451 1.625 20 10 GDCDHM CN(C)c1ccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000825878793 607601656 /nfs/dbraw/zinc/60/16/56/607601656.db2.gz FLMGPKPPYCLUKJ-UHFFFAOYSA-N -1 3 376.417 1.550 20 10 GDCDHM CN(C)c1ccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000825878793 607601658 /nfs/dbraw/zinc/60/16/58/607601658.db2.gz FLMGPKPPYCLUKJ-UHFFFAOYSA-N -1 3 376.417 1.550 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821589384 606093186 /nfs/dbraw/zinc/09/31/86/606093186.db2.gz LLSDITONHVUJLX-UHFFFAOYSA-N -1 3 379.424 1.770 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821589384 606093189 /nfs/dbraw/zinc/09/31/89/606093189.db2.gz LLSDITONHVUJLX-UHFFFAOYSA-N -1 3 379.424 1.770 20 10 GDCDHM Cc1cc(C(=O)N[C@H]2CC[S@](=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168997 606289168 /nfs/dbraw/zinc/28/91/68/606289168.db2.gz WFLBTAOCJGTXBG-PWFNWSNSSA-N -1 3 384.465 1.525 20 10 GDCDHM Cc1cc(C(=O)OC[C@@H]2COC(=O)O2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184542 606948371 /nfs/dbraw/zinc/94/83/71/606948371.db2.gz WSPCWRGWDCUONA-CQSZACIVSA-N -1 3 383.364 1.966 20 10 GDCDHM Cc1cc(C(=O)N(C)[C@@H]2CCNC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257362 608011437 /nfs/dbraw/zinc/01/14/37/608011437.db2.gz ZCUWUFYUACLXAM-MRXNPFEDSA-N -1 3 379.424 1.235 20 10 GDCDHM O=C(NCCCSc1nccs1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436879 609230379 /nfs/dbraw/zinc/23/03/79/609230379.db2.gz MXCFSHBOHMOVIG-LBPRGKRZSA-N -1 3 376.467 1.655 20 10 GDCDHM O=C(NCCCSc1nccs1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436879 609230380 /nfs/dbraw/zinc/23/03/80/609230380.db2.gz MXCFSHBOHMOVIG-LBPRGKRZSA-N -1 3 376.467 1.655 20 10 GDCDHM CN1CCN(c2ccc(CNC(=O)CSc3n[n-]c(=S)s3)cc2)CC1 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NC(=O)c1cccnc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862219893 655842410 /nfs/dbraw/zinc/84/24/10/655842410.db2.gz IVLJAYABEPMFAG-UHFFFAOYSA-N -1 3 391.269 1.971 20 10 GDCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@@H]2CCOC[C@H]21 ZINC000862392676 655845830 /nfs/dbraw/zinc/84/58/30/655845830.db2.gz OPIJTBJQZAOORD-TZMCWYRMSA-N -1 3 376.272 1.543 20 10 GDCDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(c2ccc(OC)cc2)CC1 ZINC000866710874 655955937 /nfs/dbraw/zinc/95/59/37/655955937.db2.gz WTJJNRXMDHQECA-HSZRJFAPSA-N -1 3 375.516 1.616 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000874548784 656477617 /nfs/dbraw/zinc/47/76/17/656477617.db2.gz PCTHURUEVSPYDP-LBPRGKRZSA-N -1 3 382.360 1.557 20 10 GDCDHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001589304127 953723655 /nfs/dbraw/zinc/72/36/55/953723655.db2.gz FVERLYNABYMGPJ-GDBMZVCRSA-N -1 3 393.459 1.464 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1ccc(=O)n(C)c1=O ZINC000175847338 530671371 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Cc1ccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1O ZINC000272741563 532112539 /nfs/dbraw/zinc/11/25/39/532112539.db2.gz MDDDDINIMXIYRG-UHFFFAOYSA-N -1 3 382.360 1.450 20 10 GDCDHM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000376612950 532221847 /nfs/dbraw/zinc/22/18/47/532221847.db2.gz XSMIEUONYYWNHB-FZMZJTMJSA-N -1 3 389.905 1.064 20 10 GDCDHM O=S(=O)(NCCCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339702 598900885 /nfs/dbraw/zinc/90/08/85/598900885.db2.gz UXOZLVJZRPYQBW-UHFFFAOYSA-N -1 3 382.496 1.784 20 10 GDCDHM O=S(=O)(NCCCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339702 598900886 /nfs/dbraw/zinc/90/08/86/598900886.db2.gz UXOZLVJZRPYQBW-UHFFFAOYSA-N -1 3 382.496 1.784 20 10 GDCDHM CC[S@@](=O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736666998 598910319 /nfs/dbraw/zinc/91/03/19/598910319.db2.gz SLMQYEYURTVKDB-HHHXNRCGSA-N -1 3 386.481 1.773 20 10 GDCDHM O=C([O-])C[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000819375639 597084174 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GDCDHM CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736820400 598478567 /nfs/dbraw/zinc/47/85/67/598478567.db2.gz XCPATZKBJLHPMJ-UHFFFAOYSA-N -1 3 395.423 1.143 20 10 GDCDHM CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736870091 598820031 /nfs/dbraw/zinc/82/00/31/598820031.db2.gz DVUHOYRKQWQIDR-QGZVFWFLSA-N -1 3 393.451 1.625 20 10 GDCDHM Cc1cn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1-c1nnn[n-]1 ZINC000822384351 607468386 /nfs/dbraw/zinc/46/83/86/607468386.db2.gz KHPXDWXMHHADPT-UHFFFAOYSA-N -1 3 399.430 1.269 20 10 GDCDHM Cc1cn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1-c1nn[n-]n1 ZINC000822384351 607468387 /nfs/dbraw/zinc/46/83/87/607468387.db2.gz KHPXDWXMHHADPT-UHFFFAOYSA-N -1 3 399.430 1.269 20 10 GDCDHM Cc1cc(C(=O)OC[C@H]2COC(=O)O2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184541 606948408 /nfs/dbraw/zinc/94/84/08/606948408.db2.gz WSPCWRGWDCUONA-AWEZNQCLSA-N -1 3 383.364 1.966 20 10 GDCDHM COC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000826150536 609404349 /nfs/dbraw/zinc/40/43/49/609404349.db2.gz HBNKRQKRPZZQJA-INIZCTEOSA-N -1 3 398.423 1.192 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)c2cccc(Cl)c2)c1 ZINC000919814785 660258229 /nfs/dbraw/zinc/25/82/29/660258229.db2.gz BCHUHHYSCNDFTE-HNNXBMFYSA-N -1 3 384.841 1.881 20 10 GDCDHM Cc1cc(C(=O)NCc2cn(C)nn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260045 947748957 /nfs/dbraw/zinc/74/89/57/947748957.db2.gz SOVRTNPBPKSQKA-UHFFFAOYSA-N -1 3 377.412 1.333 20 10 GDCDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCc1ccc(O)c(O)c1 ZINC000826405675 948235132 /nfs/dbraw/zinc/23/51/32/948235132.db2.gz PEHUCBABTORZIY-UHFFFAOYSA-N -1 3 396.407 1.703 20 10 GDCDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCc1ccc(O)c(O)c1 ZINC000826405675 948235140 /nfs/dbraw/zinc/23/51/40/948235140.db2.gz PEHUCBABTORZIY-UHFFFAOYSA-N -1 3 396.407 1.703 20 10 GDCDHM C[C@@H](CN(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001589402304 954444052 /nfs/dbraw/zinc/44/40/52/954444052.db2.gz 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COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1CCCCS1(=O)=O ZINC000274871668 532238831 /nfs/dbraw/zinc/23/88/31/532238831.db2.gz ZFGVPJOHATVTLP-CQSZACIVSA-N -1 3 389.857 1.515 20 10 GDCDHM COC(=O)N1CC(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000821664626 607325067 /nfs/dbraw/zinc/32/50/67/607325067.db2.gz BULLELQSZUHRTC-UHFFFAOYSA-N -1 3 395.423 1.455 20 10 GDCDHM COc1cccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737130152 598321220 /nfs/dbraw/zinc/32/12/20/598321220.db2.gz DDMVAOCAVGRGQK-INIZCTEOSA-N -1 3 394.435 1.866 20 10 GDCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738102763 598460992 /nfs/dbraw/zinc/46/09/92/598460992.db2.gz CONGVJPOZAYOFC-UHFFFAOYSA-N -1 3 381.465 1.745 20 10 GDCDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738102763 598460993 /nfs/dbraw/zinc/46/09/93/598460993.db2.gz CONGVJPOZAYOFC-UHFFFAOYSA-N -1 3 381.465 1.745 20 10 GDCDHM CCCNC(=O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736483846 598609984 /nfs/dbraw/zinc/60/99/84/598609984.db2.gz QVHHPYNPKITRLI-UHFFFAOYSA-N -1 3 381.440 1.530 20 10 GDCDHM Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234932 598610729 /nfs/dbraw/zinc/61/07/29/598610729.db2.gz PYGCBZOASXVXIB-AWEZNQCLSA-N -1 3 379.424 1.222 20 10 GDCDHM COCCOCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737010725 598611533 /nfs/dbraw/zinc/61/15/33/598611533.db2.gz HRSNACRTABEAOR-UHFFFAOYSA-N -1 3 384.440 1.667 20 10 GDCDHM Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000822319606 599597295 /nfs/dbraw/zinc/59/72/95/599597295.db2.gz USIJXTOCDPRWRC-UHFFFAOYSA-N -1 3 379.424 1.496 20 10 GDCDHM Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000822319606 599597297 /nfs/dbraw/zinc/59/72/97/599597297.db2.gz USIJXTOCDPRWRC-UHFFFAOYSA-N -1 3 379.424 1.496 20 10 GDCDHM CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C(=O)[O-])c1ccccc1)cc2=O ZINC000737155400 600214585 /nfs/dbraw/zinc/21/45/85/600214585.db2.gz VHJZBOFJQKLOCT-INIZCTEOSA-N -1 3 384.392 1.869 20 10 GDCDHM C[C@]1(C(=O)[O-])CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000828024271 601948510 /nfs/dbraw/zinc/94/85/10/601948510.db2.gz LKPQQPWWRAKTDN-IBGZPJMESA-N -1 3 379.432 1.075 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826210185 607637834 /nfs/dbraw/zinc/63/78/34/607637834.db2.gz ILBHWCDORWYULW-UHFFFAOYSA-N -1 3 379.373 1.199 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826210185 607637835 /nfs/dbraw/zinc/63/78/35/607637835.db2.gz ILBHWCDORWYULW-UHFFFAOYSA-N -1 3 379.373 1.199 20 10 GDCDHM CC(=O)NCC(=O)N1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000529666222 649950555 /nfs/dbraw/zinc/95/05/55/649950555.db2.gz UOTWFXUMWHCUOR-UHFFFAOYSA-N -1 3 398.301 1.634 20 10 GDCDHM Cc1cc(C(=O)N[C@H](C)C(=O)N(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235522 606580653 /nfs/dbraw/zinc/58/06/53/606580653.db2.gz WHSBPGGJNGUQTB-GFCCVEGCSA-N -1 3 381.440 1.481 20 10 GDCDHM CS(=O)(=O)NC[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000772597220 654566239 /nfs/dbraw/zinc/56/62/39/654566239.db2.gz COXCWKGEFNSSBL-LLVKDONJSA-N -1 3 377.304 1.916 20 10 GDCDHM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cs1 ZINC000790642374 655053530 /nfs/dbraw/zinc/05/35/30/655053530.db2.gz TXHFSRPFNTXMAH-UHFFFAOYSA-N -1 3 383.451 1.009 20 10 GDCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000817996856 655364056 /nfs/dbraw/zinc/36/40/56/655364056.db2.gz NKHPNNREZLFZAD-UHFFFAOYSA-N -1 3 382.423 1.441 20 10 GDCDHM O=S1(=O)CC[C@H](N2CCN(Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824535848 655477017 /nfs/dbraw/zinc/47/70/17/655477017.db2.gz XSJAGCCBVYIUKS-AWEZNQCLSA-N -1 3 389.315 1.459 20 10 GDCDHM CN(C)S(=O)(=O)C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000931376339 657094672 /nfs/dbraw/zinc/09/46/72/657094672.db2.gz LXQNMYFXNAKESE-LLVKDONJSA-N -1 3 387.355 1.153 20 10 GDCDHM CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)N(C)C)cc1 ZINC001598313552 991289814 /nfs/dbraw/zinc/28/98/14/991289814.db2.gz PIJURTVZHOQICL-RCCFBDPRSA-N -1 3 377.485 1.884 20 10 GDCDHM CN1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(Br)cc2[O-])CC1 ZINC001598617613 993919573 /nfs/dbraw/zinc/91/95/73/993919573.db2.gz YVFWUDMEXPSLNC-UHFFFAOYSA-N -1 3 386.290 1.289 20 10 GDCDHM CN1CCN(CC[N@@H+](CC(=O)[O-])Cc2ccc(Br)cc2[O-])CC1 ZINC001598617613 993919583 /nfs/dbraw/zinc/91/95/83/993919583.db2.gz YVFWUDMEXPSLNC-UHFFFAOYSA-N -1 3 386.290 1.289 20 10 GDCDHM COc1cc(C)c(C[NH2+][C@H]2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)c([O-])c1 ZINC001599391308 997041445 /nfs/dbraw/zinc/04/14/45/997041445.db2.gz QTDNPXNRQIFTPQ-XYEKJYRLSA-N -1 3 383.466 1.609 20 10 GDCDHM C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)c(F)c1[O-] ZINC000187780155 530878504 /nfs/dbraw/zinc/87/85/04/530878504.db2.gz UYTNMCZPMAGKDB-NEPJUHHUSA-N -1 3 378.441 1.810 20 10 GDCDHM Cn1nccc1S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364024581 531530577 /nfs/dbraw/zinc/53/05/77/531530577.db2.gz ZKVIOEXYLUMNKX-AWEZNQCLSA-N -1 3 384.889 1.722 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@H]1CCOC1 ZINC000282934144 531812622 /nfs/dbraw/zinc/81/26/22/531812622.db2.gz ANQSYWWWUFJFBQ-LLVKDONJSA-N -1 3 385.258 1.656 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCO[C@H](C)C1 ZINC000297778444 531821369 /nfs/dbraw/zinc/82/13/69/531821369.db2.gz IXIMZWTYSGXNQX-LLVKDONJSA-N -1 3 385.258 1.751 20 10 GDCDHM Cc1cc(C(=O)N2CCN(C)C(=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234901 598950597 /nfs/dbraw/zinc/95/05/97/598950597.db2.gz POLOTXIOEYAKOK-UHFFFAOYSA-N -1 3 379.424 1.188 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1O ZINC000799773945 607631574 /nfs/dbraw/zinc/63/15/74/607631574.db2.gz GXLTWPOYNFHUNC-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1O ZINC000799773945 607631576 /nfs/dbraw/zinc/63/15/76/607631576.db2.gz GXLTWPOYNFHUNC-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1O ZINC000826216371 607632386 /nfs/dbraw/zinc/63/23/86/607632386.db2.gz WBGNUGOPSJLRCO-UHFFFAOYSA-N -1 3 379.373 1.199 20 10 GDCDHM COC(=O)[C@H](OC(=O)c1ccc(C)c(O)c1O)c1cccc(-c2nnn[n-]2)c1 ZINC000821648788 606375549 /nfs/dbraw/zinc/37/55/49/606375549.db2.gz SKLKOZZGEUPJDR-OAHLLOKOSA-N -1 3 384.348 1.657 20 10 GDCDHM COC(=O)[C@H](OC(=O)c1ccc(C)c(O)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC000821648788 606375551 /nfs/dbraw/zinc/37/55/51/606375551.db2.gz SKLKOZZGEUPJDR-OAHLLOKOSA-N -1 3 384.348 1.657 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000821636687 606964794 /nfs/dbraw/zinc/96/47/94/606964794.db2.gz YZABTQCTDXWYKI-UTCJRWHESA-N -1 3 397.826 1.951 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000821636687 606964795 /nfs/dbraw/zinc/96/47/95/606964795.db2.gz YZABTQCTDXWYKI-UTCJRWHESA-N -1 3 397.826 1.951 20 10 GDCDHM Cc1cc(C(=O)O[C@@H]2CCCNC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822183945 607112241 /nfs/dbraw/zinc/11/22/41/607112241.db2.gz MIPKMHCRMCWRBX-MRXNPFEDSA-N -1 3 380.408 1.710 20 10 GDCDHM Cc1cc(C(=O)NCc2ncn(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259710 608590713 /nfs/dbraw/zinc/59/07/13/608590713.db2.gz BDTCUEHOESOXHQ-UHFFFAOYSA-N -1 3 377.412 1.333 20 10 GDCDHM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000826278868 608762404 /nfs/dbraw/zinc/76/24/04/608762404.db2.gz WPTRESJHLNCGEV-UHFFFAOYSA-N -1 3 388.409 1.505 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825879941 609241535 /nfs/dbraw/zinc/24/15/35/609241535.db2.gz SWHIGEZQZGSBEF-QGZVFWFLSA-N -1 3 380.408 1.392 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825879941 609241537 /nfs/dbraw/zinc/24/15/37/609241537.db2.gz SWHIGEZQZGSBEF-QGZVFWFLSA-N -1 3 380.408 1.392 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826400553 609469675 /nfs/dbraw/zinc/46/96/75/609469675.db2.gz BEFMGFHHPFAZOE-YEODSOHDSA-N -1 3 393.403 1.891 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826400553 609469676 /nfs/dbraw/zinc/46/96/76/609469676.db2.gz BEFMGFHHPFAZOE-YEODSOHDSA-N -1 3 393.403 1.891 20 10 GDCDHM CC(C)OCCS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093886134 644592642 /nfs/dbraw/zinc/59/26/42/644592642.db2.gz SDHTWBVZABBVJI-UHFFFAOYSA-N -1 3 376.906 1.918 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000770151087 654501888 /nfs/dbraw/zinc/50/18/88/654501888.db2.gz QXRHAGGSEHYIPA-KWCYVHTRSA-N -1 3 388.536 1.873 20 10 GDCDHM Cc1cc(Br)c([O-])c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000814170780 655257750 /nfs/dbraw/zinc/25/77/50/655257750.db2.gz CGDJGSXRCDSVHV-GFCCVEGCSA-N -1 3 377.304 1.929 20 10 GDCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCCS1(=O)=O ZINC000847590907 655472549 /nfs/dbraw/zinc/47/25/49/655472549.db2.gz KIDYUDXAXBZQKQ-ZBFHGGJFSA-N -1 3 386.901 1.703 20 10 GDCDHM Cc1cc(Br)c([O-])c(CNC2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858314482 655747033 /nfs/dbraw/zinc/74/70/33/655747033.db2.gz QMDNNQHKJFNDSH-UHFFFAOYSA-N -1 3 378.292 1.043 20 10 GDCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H]2CCOC[C@H]21 ZINC000862392673 655845584 /nfs/dbraw/zinc/84/55/84/655845584.db2.gz OPIJTBJQZAOORD-GXTWGEPZSA-N -1 3 376.272 1.543 20 10 GDCDHM CCN(Cc1nnc2c(=O)[nH]ccn12)Cc1cc(Br)ccc1[O-] ZINC000878151815 656709666 /nfs/dbraw/zinc/70/96/66/656709666.db2.gz DWKDSCSFXHCEMX-UHFFFAOYSA-N -1 3 378.230 1.908 20 10 GDCDHM O=C(NCCO)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893943027 658478386 /nfs/dbraw/zinc/47/83/86/658478386.db2.gz ODUASOZKXLTSFA-UHFFFAOYSA-N -1 3 375.238 1.614 20 10 GDCDHM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826138266 947449007 /nfs/dbraw/zinc/44/90/07/947449007.db2.gz MXLLYSGYNKQEPE-UHFFFAOYSA-N -1 3 390.787 1.369 20 10 GDCDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000826158113 947497287 /nfs/dbraw/zinc/49/72/87/947497287.db2.gz ASEZDSHRUCBGHR-UITAMQMPSA-N -1 3 395.419 1.966 20 10 GDCDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000826158113 947497293 /nfs/dbraw/zinc/49/72/93/947497293.db2.gz ASEZDSHRUCBGHR-UITAMQMPSA-N -1 3 395.419 1.966 20 10 GDCDHM O=S1(=O)C[C@@H](NCc2cc(Cl)cc(Cl)c2[O-])[C@H](N2CCOCC2)C1 ZINC000265259916 531238258 /nfs/dbraw/zinc/23/82/58/531238258.db2.gz QMNHFDICCXQDAB-ZIAGYGMSSA-N -1 3 395.308 1.286 20 10 GDCDHM CNS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000362642398 531462163 /nfs/dbraw/zinc/46/21/63/531462163.db2.gz SVJCILSTQIQCMV-LLVKDONJSA-N -1 3 379.276 1.287 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1cnn(C)c1 ZINC000284892469 532003759 /nfs/dbraw/zinc/00/37/59/532003759.db2.gz FSUNKKDIIRNFAN-UHFFFAOYSA-N -1 3 395.257 1.553 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821589172 599232647 /nfs/dbraw/zinc/23/26/47/599232647.db2.gz ABEDVBNWCIRCMY-UHFFFAOYSA-N -1 3 386.437 1.520 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821589172 599232648 /nfs/dbraw/zinc/23/26/48/599232648.db2.gz ABEDVBNWCIRCMY-UHFFFAOYSA-N -1 3 386.437 1.520 20 10 GDCDHM Cc1ccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)c(O)c1O ZINC000737315610 598409954 /nfs/dbraw/zinc/40/99/54/598409954.db2.gz PCPQOEZTPMCCGD-UHFFFAOYSA-N -1 3 375.366 1.443 20 10 GDCDHM Cc1ccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)c(O)c1O ZINC000737315610 598409956 /nfs/dbraw/zinc/40/99/56/598409956.db2.gz PCPQOEZTPMCCGD-UHFFFAOYSA-N -1 3 375.366 1.443 20 10 GDCDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738102783 598474860 /nfs/dbraw/zinc/47/48/60/598474860.db2.gz DEVJPFBHBPGZBL-UHFFFAOYSA-N -1 3 397.414 1.292 20 10 GDCDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738102783 598474861 /nfs/dbraw/zinc/47/48/61/598474861.db2.gz DEVJPFBHBPGZBL-UHFFFAOYSA-N -1 3 397.414 1.292 20 10 GDCDHM CCOC(=O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736596520 598611550 /nfs/dbraw/zinc/61/15/50/598611550.db2.gz QKAKWSMIVPJHCQ-UHFFFAOYSA-N -1 3 382.424 1.957 20 10 GDCDHM CC(=O)NCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735475486 598621351 /nfs/dbraw/zinc/62/13/51/598621351.db2.gz VZFQERAAWXKFTA-UHFFFAOYSA-N -1 3 382.424 1.957 20 10 GDCDHM Cc1cc(C(=O)O[C@@H](C(N)=O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238941 598623249 /nfs/dbraw/zinc/62/32/49/598623249.db2.gz VGIQBYUHFJZXED-MRXNPFEDSA-N -1 3 382.424 1.941 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737106601 598785345 /nfs/dbraw/zinc/78/53/45/598785345.db2.gz VRKMMYSAWVAVJR-NSHDSACASA-N -1 3 396.407 1.705 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737106601 598785346 /nfs/dbraw/zinc/78/53/46/598785346.db2.gz VRKMMYSAWVAVJR-NSHDSACASA-N -1 3 396.407 1.705 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000799776065 607637868 /nfs/dbraw/zinc/63/78/68/607637868.db2.gz NPBUDIKURSWTBJ-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000799776065 607637869 /nfs/dbraw/zinc/63/78/69/607637869.db2.gz NPBUDIKURSWTBJ-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM CC(=O)NCC(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000529665763 649950664 /nfs/dbraw/zinc/95/06/64/649950664.db2.gz RBACAKOHDJFUBE-UHFFFAOYSA-N -1 3 384.274 1.325 20 10 GDCDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826441887 607740916 /nfs/dbraw/zinc/74/09/16/607740916.db2.gz AEZAFLRXHRHRPO-UHFFFAOYSA-N -1 3 381.440 1.334 20 10 GDCDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826441887 607740917 /nfs/dbraw/zinc/74/09/17/607740917.db2.gz AEZAFLRXHRHRPO-UHFFFAOYSA-N -1 3 381.440 1.334 20 10 GDCDHM COC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826149136 607908597 /nfs/dbraw/zinc/90/85/97/607908597.db2.gz AFNZHIRNLQGQMM-OAHLLOKOSA-N -1 3 384.440 1.401 20 10 GDCDHM O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)N1CCOCC1 ZINC000751372253 654885207 /nfs/dbraw/zinc/88/52/07/654885207.db2.gz MPNBWZMVGRCLDA-HNNXBMFYSA-N -1 3 389.905 1.177 20 10 GDCDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(O)c1O ZINC000799740827 655298052 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CN(C)c1ccc(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000163491130 530576300 /nfs/dbraw/zinc/57/63/00/530576300.db2.gz IAVGYVKBQNBGTK-UHFFFAOYSA-N -1 3 382.511 1.592 20 10 GDCDHM C[C@H](CN1CCN(C)CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277432834 531281109 /nfs/dbraw/zinc/28/11/09/531281109.db2.gz LZBKRSMLEWZWBV-GFCCVEGCSA-N -1 3 385.306 1.590 20 10 GDCDHM COC(=O)CSCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272280562 532088993 /nfs/dbraw/zinc/08/89/93/532088993.db2.gz UBEPVGAQFUYCPA-UHFFFAOYSA-N -1 3 389.857 1.844 20 10 GDCDHM CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000374230912 532115415 /nfs/dbraw/zinc/11/54/15/532115415.db2.gz PDXYMONWRZTLLC-SWLSCSKDSA-N -1 3 376.906 1.964 20 10 GDCDHM CCN1C(=O)[C@@H]2CN(Cc3cc(Br)cc(C)c3[O-])CCN2C1=O ZINC000378444634 532287653 /nfs/dbraw/zinc/28/76/53/532287653.db2.gz XSEANOCSPZDKLZ-ZDUSSCGKSA-N -1 3 382.258 1.931 20 10 GDCDHM Cc1cc(C(=O)N2CCNC(=O)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232934 599244053 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NHIWJLGVVMCTEA-XQRVVYSFSA-N -1 3 388.424 1.437 20 10 GDCDHM CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821615680 606736532 /nfs/dbraw/zinc/73/65/32/606736532.db2.gz ITDIKVBEUMDISC-UHFFFAOYSA-N -1 3 386.799 1.823 20 10 GDCDHM CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821615680 606736534 /nfs/dbraw/zinc/73/65/34/606736534.db2.gz ITDIKVBEUMDISC-UHFFFAOYSA-N -1 3 386.799 1.823 20 10 GDCDHM Cc1cc(C(=O)OCC2(CO)COC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260732 608116353 /nfs/dbraw/zinc/11/63/53/608116353.db2.gz CIZJMKHXVFDGKN-UHFFFAOYSA-N -1 3 383.408 1.440 20 10 GDCDHM CN(C)c1ccc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1F ZINC000825880220 608508855 /nfs/dbraw/zinc/50/88/55/608508855.db2.gz ZGNPNVSHRWNRGH-UHFFFAOYSA-N -1 3 382.447 1.789 20 10 GDCDHM CN(C)c1ccc(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1F ZINC000825880220 608508857 /nfs/dbraw/zinc/50/88/57/608508857.db2.gz ZGNPNVSHRWNRGH-UHFFFAOYSA-N -1 3 382.447 1.789 20 10 GDCDHM O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440729 609252033 /nfs/dbraw/zinc/25/20/33/609252033.db2.gz YKXWOUKRWFXDKZ-SFHVURJKSA-N -1 3 379.420 1.801 20 10 GDCDHM O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440729 609252035 /nfs/dbraw/zinc/25/20/35/609252035.db2.gz YKXWOUKRWFXDKZ-SFHVURJKSA-N -1 3 379.420 1.801 20 10 GDCDHM CCN(CC)[C@@H](CNC=C1C(=O)[N-]C(=S)NC1=O)c1ccccc1Cl ZINC000029006095 644298972 /nfs/dbraw/zinc/29/89/72/644298972.db2.gz YWDISDOLYHNVDV-AWEZNQCLSA-N -1 3 380.901 1.727 20 10 GDCDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)nc1Cl ZINC000123690503 644698259 /nfs/dbraw/zinc/69/82/59/644698259.db2.gz YCVOVCVAZXGTOU-UHFFFAOYSA-N -1 3 388.852 1.528 20 10 GDCDHM CCN(CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000174423297 644899969 /nfs/dbraw/zinc/89/99/69/644899969.db2.gz OHCDMWIYCJYPJQ-LLVKDONJSA-N -1 3 386.290 1.570 20 10 GDCDHM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccc(N(C)C)cc1 ZINC000773008880 654578057 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COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001340571062 957938635 /nfs/dbraw/zinc/93/86/35/957938635.db2.gz SMCFGDBVGPRBGF-XLIONFOSSA-N -1 3 392.500 1.488 20 10 GDCDHM CCN1CCN(c2ccc(CNCc3c(C(=O)[O-])cnn3C)cc2F)CC1 ZINC001603764181 974213703 /nfs/dbraw/zinc/21/37/03/974213703.db2.gz XYMWQNUUWQHQKB-UHFFFAOYSA-N -1 3 375.448 1.689 20 10 GDCDHM COCCN1CCCN(Cc2cc(Br)cc(OC)c2[O-])CC1=O ZINC000191703752 530953527 /nfs/dbraw/zinc/95/35/27/530953527.db2.gz ALUOLIHNQTVGRI-UHFFFAOYSA-N -1 3 387.274 1.844 20 10 GDCDHM C[N-]S(=O)(=O)C1=CC(C(=O)Nc2ccc3nc(OC)ccc3c2)=S=C1 ZINC000482517470 531400122 /nfs/dbraw/zinc/40/01/22/531400122.db2.gz ZQNQBHGXIPHADN-UHFFFAOYSA-N -1 3 377.447 1.336 20 10 GDCDHM O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364436244 531564671 /nfs/dbraw/zinc/56/46/71/531564671.db2.gz XWMRHEDEDOZTAW-XJKSGUPXSA-N -1 3 388.917 1.966 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC000297975627 531838929 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Cc1ccc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(O)c1O ZINC000737315695 598410071 /nfs/dbraw/zinc/41/00/71/598410071.db2.gz PQNSGJFTFIVGDY-UHFFFAOYSA-N -1 3 383.364 1.060 20 10 GDCDHM Cc1ccc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(O)c1O ZINC000737315695 598410073 /nfs/dbraw/zinc/41/00/73/598410073.db2.gz PQNSGJFTFIVGDY-UHFFFAOYSA-N -1 3 383.364 1.060 20 10 GDCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821610799 599322851 /nfs/dbraw/zinc/32/28/51/599322851.db2.gz FSXGZEKGPZGSJF-UHFFFAOYSA-N -1 3 396.411 1.643 20 10 GDCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821610799 599322852 /nfs/dbraw/zinc/32/28/52/599322852.db2.gz FSXGZEKGPZGSJF-UHFFFAOYSA-N -1 3 396.411 1.643 20 10 GDCDHM CN(CCN1CCCS1(=O)=O)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000830781200 601370418 /nfs/dbraw/zinc/37/04/18/601370418.db2.gz ONVZLCNPBUYSFP-UHFFFAOYSA-N -1 3 378.450 1.711 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826210441 607632045 /nfs/dbraw/zinc/63/20/45/607632045.db2.gz RULPSAZSJVHCII-NSHDSACASA-N -1 3 389.437 1.929 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826210441 607632046 /nfs/dbraw/zinc/63/20/46/607632046.db2.gz RULPSAZSJVHCII-NSHDSACASA-N -1 3 389.437 1.929 20 10 GDCDHM COc1ccc(N(C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826209179 607753807 /nfs/dbraw/zinc/75/38/07/607753807.db2.gz PXXIWDNTECKPDI-AWEZNQCLSA-N -1 3 385.424 1.760 20 10 GDCDHM Cc1cc(C(=O)NCc2cncnc2N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260007 607928741 /nfs/dbraw/zinc/92/87/41/607928741.db2.gz QXVJGQOPUUJISG-UHFFFAOYSA-N -1 3 389.423 1.576 20 10 GDCDHM COC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826151892 608246155 /nfs/dbraw/zinc/24/61/55/608246155.db2.gz LUKSMDXPOXTRGF-INIZCTEOSA-N -1 3 384.440 1.401 20 10 GDCDHM COCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371868106 645765611 /nfs/dbraw/zinc/76/56/11/645765611.db2.gz PSLHGCBTDSQQRR-HNNXBMFYSA-N -1 3 376.906 1.966 20 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/nfs/dbraw/zinc/95/16/50/655951650.db2.gz WUMNRTCLVPXCQI-CQSZACIVSA-N -1 3 389.543 1.926 20 10 GDCDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866835275 655968567 /nfs/dbraw/zinc/96/85/67/655968567.db2.gz WXKBWEBBUZQJMH-XMMPIXPASA-N -1 3 393.506 1.239 20 10 GDCDHM O=C1NC[C@@H](O)CC12CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC000897044558 658820411 /nfs/dbraw/zinc/82/04/11/658820411.db2.gz CDSYQANNIKLXEI-LBPRGKRZSA-N -1 3 387.249 1.757 20 10 GDCDHM CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)N(C)C)cc1 ZINC000908458495 659910237 /nfs/dbraw/zinc/91/02/37/659910237.db2.gz WWHHMAFQLBDLPS-CQSZACIVSA-N -1 3 385.921 1.721 20 10 GDCDHM CN(C)c1ccc([C@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)N(C)C)cc1 ZINC001521216228 958222604 /nfs/dbraw/zinc/22/26/04/958222604.db2.gz FZGUKJWPWCTNLW-KRWDZBQOSA-N -1 3 392.500 1.536 20 10 GDCDHM COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000844836343 979400628 /nfs/dbraw/zinc/40/06/28/979400628.db2.gz ZGMCRUNVIKLDER-QGZVFWFLSA-N -1 3 375.469 1.673 20 10 GDCDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)cc1 ZINC000053696990 530695325 /nfs/dbraw/zinc/69/53/25/530695325.db2.gz ZYBPFOPLHWQTKZ-UHFFFAOYSA-N -1 3 384.889 1.697 20 10 GDCDHM COC[C@@H](C)OC[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000278211806 531343172 /nfs/dbraw/zinc/34/31/72/531343172.db2.gz DEWHGJOGXURPLH-IUODEOHRSA-N -1 3 375.849 1.433 20 10 GDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000292965003 531392286 /nfs/dbraw/zinc/39/22/86/531392286.db2.gz PNCRYKCUEZWFSN-LBPRGKRZSA-N -1 3 385.766 1.960 20 10 GDCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CCCCS1(=O)=O ZINC000274871667 532238508 /nfs/dbraw/zinc/23/85/08/532238508.db2.gz ZFGVPJOHATVTLP-AWEZNQCLSA-N -1 3 389.857 1.515 20 10 GDCDHM COc1ccc(O)c(CNC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000737107028 598921920 /nfs/dbraw/zinc/92/19/20/598921920.db2.gz YXJKLJNQNPTMFS-UHFFFAOYSA-N -1 3 385.380 1.285 20 10 GDCDHM COc1ccc(O)c(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000737107028 598921921 /nfs/dbraw/zinc/92/19/21/598921921.db2.gz YXJKLJNQNPTMFS-UHFFFAOYSA-N -1 3 385.380 1.285 20 10 GDCDHM Cc1cc(C(=O)N[C@@H](C(N)=O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233402 598426101 /nfs/dbraw/zinc/42/61/01/598426101.db2.gz JEBKHWKTGURKCY-MRXNPFEDSA-N -1 3 381.440 1.514 20 10 GDCDHM CNC(=O)CCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736871843 598821777 /nfs/dbraw/zinc/82/17/77/598821777.db2.gz ZMBRMCBXLGNJKA-UHFFFAOYSA-N -1 3 381.440 1.482 20 10 GDCDHM Cc1cc(C(=O)NC[C@@]2(O)CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259655 607862180 /nfs/dbraw/zinc/86/21/80/607862180.db2.gz ZAFLMWOWCOTKLW-IBGZPJMESA-N -1 3 382.424 1.155 20 10 GDCDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCCSc1nccs1 ZINC000826413495 608223448 /nfs/dbraw/zinc/22/34/48/608223448.db2.gz HMOPIBCQJVMDDR-UHFFFAOYSA-N -1 3 376.471 1.429 20 10 GDCDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCCSc1nccs1 ZINC000826413495 608223449 /nfs/dbraw/zinc/22/34/49/608223449.db2.gz HMOPIBCQJVMDDR-UHFFFAOYSA-N -1 3 376.471 1.429 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826210466 609550090 /nfs/dbraw/zinc/55/00/90/609550090.db2.gz SPBCMBABXXWUSV-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826210466 609550092 /nfs/dbraw/zinc/55/00/92/609550092.db2.gz SPBCMBABXXWUSV-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM CN(CCNC(=O)NCc1c([O-])cccc1F)S(=O)(=O)c1cccs1 ZINC000921558077 660308330 /nfs/dbraw/zinc/30/83/30/660308330.db2.gz OEPIASKSGMOAGW-UHFFFAOYSA-N -1 3 387.458 1.713 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000728980210 654898818 /nfs/dbraw/zinc/89/88/18/654898818.db2.gz YETMBTKASRTOTG-QMMMGPOBSA-N -1 3 398.213 1.303 20 10 GDCDHM C[C@@H](C(=O)NC1CC1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862215280 655842333 /nfs/dbraw/zinc/84/23/33/655842333.db2.gz KHWKSVZABLVTPM-LBPRGKRZSA-N -1 3 382.302 1.939 20 10 GDCDHM O=C(C(=O)N1CCN(Cc2c([O-])cccc2Br)CC1)N1CCCC1 ZINC000862228140 655842640 /nfs/dbraw/zinc/84/26/40/655842640.db2.gz ZBLUEVKNDGXFGB-UHFFFAOYSA-N -1 3 396.285 1.421 20 10 GDCDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000866542972 655948556 /nfs/dbraw/zinc/94/85/56/655948556.db2.gz JWOCRSFXFMPMPQ-HSZRJFAPSA-N -1 3 379.479 1.114 20 10 GDCDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000866605668 655951516 /nfs/dbraw/zinc/95/15/16/655951516.db2.gz PAIBDMDNHFDPRD-ZAMGYDSWSA-N -1 3 375.516 1.536 20 10 GDCDHM CCN(Cc1nnc2c(=O)n(C)ccn12)Cc1cc(Br)ccc1[O-] ZINC000878153723 656709556 /nfs/dbraw/zinc/70/95/56/656709556.db2.gz PORQQNKKSUEPAC-UHFFFAOYSA-N -1 3 392.257 1.918 20 10 GDCDHM O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)NCc1c([O-])cccc1F ZINC000928710862 656923167 /nfs/dbraw/zinc/92/31/67/656923167.db2.gz NZMMFJWSNKWBAW-JTQLQIEISA-N -1 3 384.454 1.749 20 10 GDCDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]c1ccnn1Cc1ccc(N(C)C)cc1 ZINC000906060690 659515616 /nfs/dbraw/zinc/51/56/16/659515616.db2.gz LCBLMLWNVAFJBZ-DEOSSOPVSA-N -1 3 385.515 1.772 20 10 GDCDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(O)c(O)c1 ZINC000824207465 946622341 /nfs/dbraw/zinc/62/23/41/946622341.db2.gz XAKUPFRFSKXEGS-QGZVFWFLSA-N -1 3 383.408 1.998 20 10 GDCDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(O)c(O)c1 ZINC000824207465 946622354 /nfs/dbraw/zinc/62/23/54/946622354.db2.gz XAKUPFRFSKXEGS-QGZVFWFLSA-N -1 3 383.408 1.998 20 10 GDCDHM CN(C)c1ccc([C@@H](CNC(=O)COCc2ocnc2C(=O)[O-])N(C)C)cc1 ZINC001598313725 991292114 /nfs/dbraw/zinc/29/21/14/991292114.db2.gz WGBXRNYSFYUGNU-OAHLLOKOSA-N -1 3 390.440 1.375 20 10 GDCDHM COC[C@H](C)S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161829901 530563544 /nfs/dbraw/zinc/56/35/44/530563544.db2.gz BKSFUHHUCZVHLW-WFASDCNBSA-N -1 3 376.906 1.964 20 10 GDCDHM CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000181556430 530786352 /nfs/dbraw/zinc/78/63/52/530786352.db2.gz UUQAHNIZZYYJGJ-LBPRGKRZSA-N -1 3 393.303 1.677 20 10 GDCDHM CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000181555928 530786825 /nfs/dbraw/zinc/78/68/25/530786825.db2.gz NVUZDKVFVLQVPT-CYBMUJFWSA-N -1 3 377.304 1.977 20 10 GDCDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000282118690 531708422 /nfs/dbraw/zinc/70/84/22/531708422.db2.gz ZMUVCGSKXNUPQE-UHFFFAOYSA-N -1 3 381.479 1.852 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CNS(=O)(=O)CC ZINC000270441998 531869864 /nfs/dbraw/zinc/86/98/64/531869864.db2.gz ZBAOOFLSXIKGRC-UHFFFAOYSA-N -1 3 379.276 1.443 20 10 GDCDHM CNS(=O)(=O)C1CCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000271755335 532050177 /nfs/dbraw/zinc/05/01/77/532050177.db2.gz WYFLYVLUJBDJFW-UHFFFAOYSA-N -1 3 377.304 1.977 20 10 GDCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000273238215 532141473 /nfs/dbraw/zinc/14/14/73/532141473.db2.gz YFJJXPZXUOHKLI-MNOVXSKESA-N -1 3 384.479 1.574 20 10 GDCDHM Cc1cc(C(=O)OCc2nnnn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737243990 598845352 /nfs/dbraw/zinc/84/53/52/598845352.db2.gz WPENJRGBGCVILG-UHFFFAOYSA-N -1 3 379.384 1.155 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822206042 607276445 /nfs/dbraw/zinc/27/64/45/607276445.db2.gz RVSJQKCJYQBLET-UHFFFAOYSA-N -1 3 393.451 1.804 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822206042 607276446 /nfs/dbraw/zinc/27/64/46/607276446.db2.gz RVSJQKCJYQBLET-UHFFFAOYSA-N -1 3 393.451 1.804 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](C(=O)[O-])C3)cc2F)C[C@H](C)O1 ZINC000818112379 597527114 /nfs/dbraw/zinc/52/71/14/597527114.db2.gz BWVIQQATMNRYIK-IJEWVQPXSA-N -1 3 393.459 1.462 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](C(=O)[O-])C3)cc2F)C[C@@H](C)O1 ZINC000818112377 597527481 /nfs/dbraw/zinc/52/74/81/597527481.db2.gz BWVIQQATMNRYIK-IIAWOOMASA-N -1 3 393.459 1.462 20 10 GDCDHM COc1ccc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000737099653 598566777 /nfs/dbraw/zinc/56/67/77/598566777.db2.gz ORVFDSXECOOPEH-UHFFFAOYSA-N -1 3 376.424 1.850 20 10 GDCDHM COc1ccc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000737099653 598566779 /nfs/dbraw/zinc/56/67/79/598566779.db2.gz ORVFDSXECOOPEH-UHFFFAOYSA-N -1 3 376.424 1.850 20 10 GDCDHM CCNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736572436 598610211 /nfs/dbraw/zinc/61/02/11/598610211.db2.gz BOGKGKLKOIEULU-LBPRGKRZSA-N -1 3 381.440 1.529 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737106160 598772516 /nfs/dbraw/zinc/77/25/16/598772516.db2.gz NYWODBIKRJJKBC-LLVKDONJSA-N -1 3 398.427 1.448 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737106160 598772518 /nfs/dbraw/zinc/77/25/18/598772518.db2.gz NYWODBIKRJJKBC-LLVKDONJSA-N -1 3 398.427 1.448 20 10 GDCDHM Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233294 599573527 /nfs/dbraw/zinc/57/35/27/599573527.db2.gz AMJBZLNVNQNDBF-HNNXBMFYSA-N -1 3 393.451 1.625 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826210622 607631831 /nfs/dbraw/zinc/63/18/31/607631831.db2.gz YHXGSFFSXMUECX-JTQLQIEISA-N -1 3 375.410 1.620 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826210622 607631834 /nfs/dbraw/zinc/63/18/34/607631834.db2.gz YHXGSFFSXMUECX-JTQLQIEISA-N -1 3 375.410 1.620 20 10 GDCDHM CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935150 604278071 /nfs/dbraw/zinc/27/80/71/604278071.db2.gz QTLIEVZZNGKXAK-BIENSFFJSA-N -1 3 388.424 1.435 20 10 GDCDHM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000833479007 605119166 /nfs/dbraw/zinc/11/91/66/605119166.db2.gz XFSODVBOWNKLSP-CRAIPNDOSA-N -1 3 377.485 1.789 20 10 GDCDHM O=C(O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)C1=CC(=O)CS1 ZINC000823392991 606377411 /nfs/dbraw/zinc/37/74/11/606377411.db2.gz VODAZXGYQROAQP-SECBINFHSA-N -1 3 377.407 1.658 20 10 GDCDHM O=C(O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)C1=CC(=O)CS1 ZINC000823392991 606377414 /nfs/dbraw/zinc/37/74/14/606377414.db2.gz VODAZXGYQROAQP-SECBINFHSA-N -1 3 377.407 1.658 20 10 GDCDHM CN(Cc1ccccc1O)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825980918 608334721 /nfs/dbraw/zinc/33/47/21/608334721.db2.gz LXRSSTHXIZWXQH-UHFFFAOYSA-N -1 3 377.401 1.673 20 10 GDCDHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000754153400 654966510 /nfs/dbraw/zinc/96/65/10/654966510.db2.gz HGNRJWCMSWVPNY-CYBMUJFWSA-N -1 3 376.906 1.918 20 10 GDCDHM Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1cccc(O)c1[O-] ZINC000804742960 655000307 /nfs/dbraw/zinc/00/03/07/655000307.db2.gz LBEJGKWARQTHEK-UHFFFAOYSA-N -1 3 384.841 1.768 20 10 GDCDHM COC(=O)c1cn([C@@H]2CCN(Cc3cccc(Br)c3[O-])C2)nn1 ZINC000761225982 655138182 /nfs/dbraw/zinc/13/81/82/655138182.db2.gz LIZJVLMZFSDDOG-LLVKDONJSA-N -1 3 381.230 1.980 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3nc(N)sc3C2)c1 ZINC000816557360 655329009 /nfs/dbraw/zinc/32/90/09/655329009.db2.gz NNNSKJAVJHHXPS-QMMMGPOBSA-N -1 3 382.467 1.090 20 10 GDCDHM C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824542778 655477095 /nfs/dbraw/zinc/47/70/95/655477095.db2.gz XLMLHQDXECZRSB-GFCCVEGCSA-N -1 3 382.302 1.939 20 10 GDCDHM COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3CC(=O)[O-])CC2)cc1 ZINC000844836342 979400476 /nfs/dbraw/zinc/40/04/76/979400476.db2.gz ZGMCRUNVIKLDER-KRWDZBQOSA-N -1 3 375.469 1.673 20 10 GDCDHM COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)C2)cc1 ZINC001599586150 993616250 /nfs/dbraw/zinc/61/62/50/993616250.db2.gz MAGNWKICJCGCRO-JKSUJKDBSA-N -1 3 390.484 1.179 20 10 GDCDHM O=C(CN1CCN(Cc2cc(Br)ccc2[O-])CC1)N1CCCC1 ZINC000119625755 530928644 /nfs/dbraw/zinc/92/86/44/530928644.db2.gz BATQNTDNVQMVFD-UHFFFAOYSA-N -1 3 382.302 1.895 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000236917407 531040997 /nfs/dbraw/zinc/04/09/97/531040997.db2.gz LYBDFEOMDGKDQL-LBPRGKRZSA-N -1 3 393.303 1.265 20 10 GDCDHM O=C(CN1CSCC1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363709656 531504214 /nfs/dbraw/zinc/50/42/14/531504214.db2.gz MMKCFKBJWZVQDJ-AWEZNQCLSA-N -1 3 383.901 1.659 20 10 GDCDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cccc(OC)c1O ZINC000295558133 531596874 /nfs/dbraw/zinc/59/68/74/531596874.db2.gz KTTBIIWFIWRYGA-LLVKDONJSA-N -1 3 385.360 1.704 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000297992825 531840434 /nfs/dbraw/zinc/84/04/34/531840434.db2.gz XLXNTDUEBSQLNN-LLVKDONJSA-N -1 3 385.258 1.344 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@@H](C)COC ZINC000286705641 532170561 /nfs/dbraw/zinc/17/05/61/532170561.db2.gz GNWUIPDCXBLMAX-LLVKDONJSA-N -1 3 387.274 1.902 20 10 GDCDHM CS(=O)(=O)C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000377064416 532241182 /nfs/dbraw/zinc/24/11/82/532241182.db2.gz AKRHYCVRNWGABI-AWEZNQCLSA-N -1 3 386.901 1.703 20 10 GDCDHM O=S(=O)(NCCCSc1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738340059 598901009 /nfs/dbraw/zinc/90/10/09/598901009.db2.gz VUXAYKHTCSHNFE-UHFFFAOYSA-N -1 3 382.496 1.784 20 10 GDCDHM O=S(=O)(NCCCSc1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340059 598901011 /nfs/dbraw/zinc/90/10/11/598901011.db2.gz VUXAYKHTCSHNFE-UHFFFAOYSA-N -1 3 382.496 1.784 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822205816 606401905 /nfs/dbraw/zinc/40/19/05/606401905.db2.gz JHLWBDLCAUZISA-UHFFFAOYSA-N -1 3 397.414 1.635 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822205816 606401906 /nfs/dbraw/zinc/40/19/06/606401906.db2.gz JHLWBDLCAUZISA-UHFFFAOYSA-N -1 3 397.414 1.635 20 10 GDCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821611227 606520131 /nfs/dbraw/zinc/52/01/31/606520131.db2.gz WPSIQWJPTLUNLH-UHFFFAOYSA-N -1 3 392.463 1.904 20 10 GDCDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821611227 606520132 /nfs/dbraw/zinc/52/01/32/606520132.db2.gz WPSIQWJPTLUNLH-UHFFFAOYSA-N -1 3 392.463 1.904 20 10 GDCDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000824173266 608078570 /nfs/dbraw/zinc/07/85/70/608078570.db2.gz WRKNEYSFSVCGPK-UHFFFAOYSA-N -1 3 383.408 1.794 20 10 GDCDHM Cc1cc(C(=O)NCc2ccn(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260042 608247333 /nfs/dbraw/zinc/24/73/33/608247333.db2.gz SOLUWLCMOQBGGT-UHFFFAOYSA-N -1 3 376.424 1.938 20 10 GDCDHM CS(=O)(=O)NCC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000809694636 655135387 /nfs/dbraw/zinc/13/53/87/655135387.db2.gz RWKHFZKNRKGSCL-UHFFFAOYSA-N -1 3 377.304 1.916 20 10 GDCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCOC[C@H]21 ZINC000839185969 655241064 /nfs/dbraw/zinc/24/10/64/655241064.db2.gz IBFFSDVEBOYSSP-TZMCWYRMSA-N -1 3 376.272 1.543 20 10 GDCDHM CS(=O)(=O)N=S1(=O)CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000894829568 658622371 /nfs/dbraw/zinc/62/23/71/658622371.db2.gz VQJPJWJKIJZLGB-UHFFFAOYSA-N -1 3 397.316 1.398 20 10 GDCDHM COc1ccc(N2CCN(C(=O)CN3CCC[C@@](C)(C(=O)[O-])C3)CC2)cc1 ZINC001599585649 993610063 /nfs/dbraw/zinc/61/00/63/993610063.db2.gz VEDZEBHPVLQBQM-HXUWFJFHSA-N -1 3 375.469 1.531 20 10 GDCDHM C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593221107 994320216 /nfs/dbraw/zinc/32/02/16/994320216.db2.gz WWUUZQYTMCQEDQ-OHRKKDJYSA-N -1 3 375.469 1.825 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000269144008 531616075 /nfs/dbraw/zinc/61/60/75/531616075.db2.gz NOMNCYPGCCVACT-WBMJQRKESA-N -1 3 386.495 1.548 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCOCCOC ZINC000269752766 531738879 /nfs/dbraw/zinc/73/88/79/531738879.db2.gz CTFNRHXKARPGEX-UHFFFAOYSA-N -1 3 396.303 1.969 20 10 GDCDHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736772772 598405608 /nfs/dbraw/zinc/40/56/08/598405608.db2.gz HRZCAJZXOKZBPB-UHFFFAOYSA-N -1 3 397.414 1.118 20 10 GDCDHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736772772 598405610 /nfs/dbraw/zinc/40/56/10/598405610.db2.gz HRZCAJZXOKZBPB-UHFFFAOYSA-N -1 3 397.414 1.118 20 10 GDCDHM Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234933 598610445 /nfs/dbraw/zinc/61/04/45/598610445.db2.gz PYGCBZOASXVXIB-CQSZACIVSA-N -1 3 379.424 1.222 20 10 GDCDHM Cc1cc(C(=O)O[C@H](C)C(=O)N(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238806 598623448 /nfs/dbraw/zinc/62/34/48/598623448.db2.gz UPOSQRDOGDLXRN-CYBMUJFWSA-N -1 3 382.424 1.908 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737106582 598785578 /nfs/dbraw/zinc/78/55/78/598785578.db2.gz VCWGNJAZRFKDEQ-JTQLQIEISA-N -1 3 382.380 1.397 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737106582 598785580 /nfs/dbraw/zinc/78/55/80/598785580.db2.gz VCWGNJAZRFKDEQ-JTQLQIEISA-N -1 3 382.380 1.397 20 10 GDCDHM Cc1cc(C(=O)OC[C@H]2COCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240801 598786655 /nfs/dbraw/zinc/78/66/55/598786655.db2.gz HHQMHZRDFYUWCQ-MRXNPFEDSA-N -1 3 383.408 1.846 20 10 GDCDHM CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1F ZINC000821589710 599503201 /nfs/dbraw/zinc/50/32/01/599503201.db2.gz ZRKBMKHSWBEIAB-UHFFFAOYSA-N -1 3 391.432 1.331 20 10 GDCDHM CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1F ZINC000821589710 599503203 /nfs/dbraw/zinc/50/32/03/599503203.db2.gz ZRKBMKHSWBEIAB-UHFFFAOYSA-N -1 3 391.432 1.331 20 10 GDCDHM Cn1ccnc(N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)c1=O ZINC000833058341 601055611 /nfs/dbraw/zinc/05/56/11/601055611.db2.gz BVXKWAHJJLULME-UHFFFAOYSA-N -1 3 394.431 1.660 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000826216421 607632632 /nfs/dbraw/zinc/63/26/32/607632632.db2.gz XUFXYZJIYDKVIQ-UHFFFAOYSA-N -1 3 379.373 1.199 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000826216421 607632633 /nfs/dbraw/zinc/63/26/33/607632633.db2.gz XUFXYZJIYDKVIQ-UHFFFAOYSA-N -1 3 379.373 1.199 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826210586 607637541 /nfs/dbraw/zinc/63/75/41/607637541.db2.gz XEQBUEMCRZJCTC-UHFFFAOYSA-N -1 3 379.373 1.199 20 10 GDCDHM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2F)C[C@H](C)O1 ZINC000824991944 607700334 /nfs/dbraw/zinc/70/03/34/607700334.db2.gz IHHFLMZJXZUPBQ-RYUDHWBXSA-N -1 3 399.430 1.878 20 10 GDCDHM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2F)C[C@H](C)O1 ZINC000824991944 607700336 /nfs/dbraw/zinc/70/03/36/607700336.db2.gz IHHFLMZJXZUPBQ-RYUDHWBXSA-N -1 3 399.430 1.878 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2F)C[C@H](C)O1 ZINC000820769017 606259185 /nfs/dbraw/zinc/25/91/85/606259185.db2.gz QKVSWWHMRBHVIW-TXEJJXNPSA-N -1 3 399.430 1.878 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2F)C[C@H](C)O1 ZINC000820769017 606259187 /nfs/dbraw/zinc/25/91/87/606259187.db2.gz QKVSWWHMRBHVIW-TXEJJXNPSA-N -1 3 399.430 1.878 20 10 GDCDHM COc1cccc(CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)c1O ZINC000826216274 608590776 /nfs/dbraw/zinc/59/07/76/608590776.db2.gz RBEXBNNUTQGPDY-UHFFFAOYSA-N -1 3 397.439 1.769 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825879939 609241182 /nfs/dbraw/zinc/24/11/82/609241182.db2.gz SWHIGEZQZGSBEF-KRWDZBQOSA-N -1 3 380.408 1.392 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825879939 609241184 /nfs/dbraw/zinc/24/11/84/609241184.db2.gz SWHIGEZQZGSBEF-KRWDZBQOSA-N -1 3 380.408 1.392 20 10 GDCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000769932123 654493927 /nfs/dbraw/zinc/49/39/27/654493927.db2.gz QPERUSUHWVQBJA-PRHODGIISA-N -1 3 382.360 1.556 20 10 GDCDHM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)cc(Br)c1[O-] ZINC000708135206 654834177 /nfs/dbraw/zinc/83/41/77/654834177.db2.gz XNCLDZYDFMYJJN-MNOVXSKESA-N -1 3 384.679 1.710 20 10 GDCDHM CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000797431122 655242146 /nfs/dbraw/zinc/24/21/46/655242146.db2.gz HTUBGDWLGGQASY-UHFFFAOYSA-N -1 3 387.439 1.078 20 10 GDCDHM O=S1(=O)CC[C@]2(C1)CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC000843426144 655394727 /nfs/dbraw/zinc/39/47/27/655394727.db2.gz OQOLNWCUSRTGPH-CQSZACIVSA-N -1 3 376.272 1.544 20 10 GDCDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(c2ccc(OC)cc2)CC1 ZINC000866710875 655955883 /nfs/dbraw/zinc/95/58/83/655955883.db2.gz WTJJNRXMDHQECA-QHCPKHFHSA-N -1 3 375.516 1.616 20 10 GDCDHM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Br)ccc1[O-] ZINC000883334646 657282527 /nfs/dbraw/zinc/28/25/27/657282527.db2.gz DYRLHWHFDBQFAF-SECBINFHSA-N -1 3 378.230 1.747 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826401423 948221327 /nfs/dbraw/zinc/22/13/27/948221327.db2.gz YBLVAUJFEFTYFF-XQRVVYSFSA-N -1 3 393.407 1.035 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826401423 948221335 /nfs/dbraw/zinc/22/13/35/948221335.db2.gz YBLVAUJFEFTYFF-XQRVVYSFSA-N -1 3 393.407 1.035 20 10 GDCDHM CN(C)c1ccc([C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)N(C)C)cc1 ZINC001604083636 972483328 /nfs/dbraw/zinc/48/33/28/972483328.db2.gz SMBFQWLKVNTPDH-KRWDZBQOSA-N -1 3 386.452 1.032 20 10 GDCDHM Cn1cc(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000161827074 530563578 /nfs/dbraw/zinc/56/35/78/530563578.db2.gz SINNAKGYNNDJGF-AWEZNQCLSA-N -1 3 384.889 1.722 20 10 GDCDHM CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Br)cc(C)c2[O-])C1 ZINC000181555946 530786424 /nfs/dbraw/zinc/78/64/24/530786424.db2.gz NVUZDKVFVLQVPT-ZDUSSCGKSA-N -1 3 377.304 1.977 20 10 GDCDHM C[C@@H](CN1CCN(C)CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277432837 531281898 /nfs/dbraw/zinc/28/18/98/531281898.db2.gz LZBKRSMLEWZWBV-LBPRGKRZSA-N -1 3 385.306 1.590 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000269144006 531615821 /nfs/dbraw/zinc/61/58/21/531615821.db2.gz NOMNCYPGCCVACT-LRDDRELGSA-N -1 3 386.495 1.548 20 10 GDCDHM COC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCO1 ZINC000736976655 599105542 /nfs/dbraw/zinc/10/55/42/599105542.db2.gz NKXJPONPFNYQRY-QGZVFWFLSA-N -1 3 396.451 1.762 20 10 GDCDHM COc1cccc(CNC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1O ZINC000737024612 598321079 /nfs/dbraw/zinc/32/10/79/598321079.db2.gz UMQFGSMGGJPKBD-UHFFFAOYSA-N -1 3 385.380 1.285 20 10 GDCDHM COc1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1O ZINC000737024612 598321081 /nfs/dbraw/zinc/32/10/81/598321081.db2.gz UMQFGSMGGJPKBD-UHFFFAOYSA-N -1 3 385.380 1.285 20 10 GDCDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(N2CCOCC2)cc1 ZINC000736116438 598448293 /nfs/dbraw/zinc/44/82/93/598448293.db2.gz AKIFOYZECQNVBJ-ZDUSSCGKSA-N -1 3 379.424 1.589 20 10 GDCDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(N2CCOCC2)cc1 ZINC000736116438 598448295 /nfs/dbraw/zinc/44/82/95/598448295.db2.gz AKIFOYZECQNVBJ-ZDUSSCGKSA-N -1 3 379.424 1.589 20 10 GDCDHM Cc1cc(C(=O)N2CCC3(C2)OCCO3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233466 598536479 /nfs/dbraw/zinc/53/64/79/598536479.db2.gz GBKCDCALYDWAIY-UHFFFAOYSA-N -1 3 394.435 1.863 20 10 GDCDHM Cc1cc(C(=O)OCC(=O)NC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737243618 598623267 /nfs/dbraw/zinc/62/32/67/598623267.db2.gz UYNFWVHJUHYZJS-UHFFFAOYSA-N -1 3 380.408 1.710 20 10 GDCDHM CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736820389 598637470 /nfs/dbraw/zinc/63/74/70/598637470.db2.gz WVCHOIYXJQOZNI-UHFFFAOYSA-N -1 3 397.414 1.669 20 10 GDCDHM CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736820389 598637472 /nfs/dbraw/zinc/63/74/72/598637472.db2.gz WVCHOIYXJQOZNI-UHFFFAOYSA-N -1 3 397.414 1.669 20 10 GDCDHM C=CC(=O)NCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735402468 598690987 /nfs/dbraw/zinc/69/09/87/598690987.db2.gz BMJZPBNLCBIUQO-UHFFFAOYSA-N -1 3 379.424 1.306 20 10 GDCDHM Cc1cc(C(=O)OCCN2CCNC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737241438 598799287 /nfs/dbraw/zinc/79/92/87/598799287.db2.gz JZBAFZPQOTXIET-UHFFFAOYSA-N -1 3 395.423 1.456 20 10 GDCDHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1-c1nnn[n-]1 ZINC000820160435 607436591 /nfs/dbraw/zinc/43/65/91/607436591.db2.gz JXCSJTWPHRJMQF-UHFFFAOYSA-N -1 3 396.407 1.614 20 10 GDCDHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1-c1nn[n-]n1 ZINC000820160435 607436593 /nfs/dbraw/zinc/43/65/93/607436593.db2.gz JXCSJTWPHRJMQF-UHFFFAOYSA-N -1 3 396.407 1.614 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1O ZINC000826216092 607632177 /nfs/dbraw/zinc/63/21/77/607632177.db2.gz KDJOEMPBMCLNFX-UHFFFAOYSA-N -1 3 375.410 1.368 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1O ZINC000826216092 607632179 /nfs/dbraw/zinc/63/21/79/607632179.db2.gz KDJOEMPBMCLNFX-UHFFFAOYSA-N -1 3 375.410 1.368 20 10 GDCDHM CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935151 604278392 /nfs/dbraw/zinc/27/83/92/604278392.db2.gz QTLIEVZZNGKXAK-GMNBZTITSA-N -1 3 388.424 1.435 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821589257 606092702 /nfs/dbraw/zinc/09/27/02/606092702.db2.gz FVJJJJJVEOPRFA-UHFFFAOYSA-N -1 3 393.451 1.448 20 10 GDCDHM CN(C)c1ccc2c(c1)OCCN2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821589257 606092706 /nfs/dbraw/zinc/09/27/06/606092706.db2.gz FVJJJJJVEOPRFA-UHFFFAOYSA-N -1 3 393.451 1.448 20 10 GDCDHM Cc1oc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)c(-c2nnn[n-]2)c1C ZINC000826341847 608088129 /nfs/dbraw/zinc/08/81/29/608088129.db2.gz RLNONHIMNKKOFR-UHFFFAOYSA-N -1 3 397.439 1.980 20 10 GDCDHM O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442174 609211433 /nfs/dbraw/zinc/21/14/33/609211433.db2.gz LOJIYNSYUJULMN-SFHVURJKSA-N -1 3 394.435 1.053 20 10 GDCDHM O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442174 609211434 /nfs/dbraw/zinc/21/14/34/609211434.db2.gz LOJIYNSYUJULMN-SFHVURJKSA-N -1 3 394.435 1.053 20 10 GDCDHM Cc1cc(C(=O)N2CC(n3ccnn3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257927 609472234 /nfs/dbraw/zinc/47/22/34/609472234.db2.gz TUSOYCCOOSQNQH-UHFFFAOYSA-N -1 3 389.423 1.563 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000770151090 654501898 /nfs/dbraw/zinc/50/18/98/654501898.db2.gz QXRHAGGSEHYIPA-MRVWCRGKSA-N -1 3 388.536 1.873 20 10 GDCDHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCSc2nccs2)c(C)o1 ZINC000751382110 654885922 /nfs/dbraw/zinc/88/59/22/654885922.db2.gz GFLDSEWOQFXQHI-UHFFFAOYSA-N -1 3 375.497 1.865 20 10 GDCDHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1)OCO2 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YOYIVDZVMHECCG-CQSZACIVSA-N -1 3 383.495 1.858 20 10 GDCDHM COc1cc(Br)cc(CN2CCc3nn(C)c(=O)cc3C2)c1[O-] ZINC000093756073 530814106 /nfs/dbraw/zinc/81/41/06/530814106.db2.gz ZSVXOKTZMDLRPH-UHFFFAOYSA-N -1 3 380.242 1.815 20 10 GDCDHM CCS(=O)(=O)[N-]c1ccc(NS(=O)(=O)N2CCCCC2)cc1OC ZINC000266038490 531306940 /nfs/dbraw/zinc/30/69/40/531306940.db2.gz ORQPJFWHMSKRCA-UHFFFAOYSA-N -1 3 377.488 1.599 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000294464080 531480281 /nfs/dbraw/zinc/48/02/81/531480281.db2.gz WJGXEYHZDHFGGE-UHFFFAOYSA-N -1 3 396.245 1.579 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000297975626 531838576 /nfs/dbraw/zinc/83/85/76/531838576.db2.gz WHVHWFIBIPAQTH-KRWDZBQOSA-N -1 3 399.285 1.877 20 10 GDCDHM CNc1nnc(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000273925819 532176321 /nfs/dbraw/zinc/17/63/21/532176321.db2.gz VOWTXFVJOKDGTO-UHFFFAOYSA-N -1 3 384.845 1.683 20 10 GDCDHM Cc1cc(C(=O)NCc2ccnn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236246 598611101 /nfs/dbraw/zinc/61/11/01/598611101.db2.gz GUVNJNVOYMUAGW-UHFFFAOYSA-N -1 3 376.424 1.938 20 10 GDCDHM CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736774715 598635775 /nfs/dbraw/zinc/63/57/75/598635775.db2.gz YHNSWQQIDVULEM-UHFFFAOYSA-N -1 3 383.387 1.327 20 10 GDCDHM CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736774715 598635776 /nfs/dbraw/zinc/63/57/76/598635776.db2.gz YHNSWQQIDVULEM-UHFFFAOYSA-N -1 3 383.387 1.327 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826268534 607617361 /nfs/dbraw/zinc/61/73/61/607617361.db2.gz BQLZBBUOYDBDDJ-UHFFFAOYSA-N -1 3 390.444 1.859 20 10 GDCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000826249153 607668821 /nfs/dbraw/zinc/66/88/21/607668821.db2.gz OHDDPWKFGVBINL-UHFFFAOYSA-N -1 3 378.436 1.942 20 10 GDCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000826249153 607668823 /nfs/dbraw/zinc/66/88/23/607668823.db2.gz OHDDPWKFGVBINL-UHFFFAOYSA-N -1 3 378.436 1.942 20 10 GDCDHM Cc1cc(C(=O)O[C@H]2CCCNC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822183942 607112281 /nfs/dbraw/zinc/11/22/81/607112281.db2.gz MIPKMHCRMCWRBX-INIZCTEOSA-N -1 3 380.408 1.710 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826073142 607953255 /nfs/dbraw/zinc/95/32/55/607953255.db2.gz GQLYCSAAEOGBKO-DJWKRKHSSA-N -1 3 375.392 1.224 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826073142 607953256 /nfs/dbraw/zinc/95/32/56/607953256.db2.gz GQLYCSAAEOGBKO-DJWKRKHSSA-N -1 3 375.392 1.224 20 10 GDCDHM Cc1cc(C(=O)NCCCCC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258901 608276705 /nfs/dbraw/zinc/27/67/05/608276705.db2.gz AUHRCTBPBHWAEP-UHFFFAOYSA-N -1 3 381.440 1.660 20 10 GDCDHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000866605666 655951532 /nfs/dbraw/zinc/95/15/32/655951532.db2.gz PAIBDMDNHFDPRD-NPMABZOXSA-N -1 3 375.516 1.536 20 10 GDCDHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCOCC2)cc1 ZINC000872439472 656327817 /nfs/dbraw/zinc/32/78/17/656327817.db2.gz ILILITUAHAPLQA-DEOSSOPVSA-N -1 3 389.543 1.754 20 10 GDCDHM COc1cc(N(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000737054536 944939749 /nfs/dbraw/zinc/93/97/49/944939749.db2.gz SJKDRUICOZQHLP-UHFFFAOYSA-N -1 3 398.423 1.967 20 10 GDCDHM COc1cc(N(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000737054536 944939753 /nfs/dbraw/zinc/93/97/53/944939753.db2.gz SJKDRUICOZQHLP-UHFFFAOYSA-N -1 3 398.423 1.967 20 10 GDCDHM CN(C)CCN(CC(=O)N(C)C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598224545 990908244 /nfs/dbraw/zinc/90/82/44/990908244.db2.gz LYEFCCNVBUFZNA-UHFFFAOYSA-N -1 3 378.448 1.467 20 10 GDCDHM Cc1cc(Br)cc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000292885715 531386425 /nfs/dbraw/zinc/38/64/25/531386425.db2.gz YGSPYRHVUAQOHB-ZDUSSCGKSA-N -1 3 377.304 1.929 20 10 GDCDHM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267544162 531433981 /nfs/dbraw/zinc/43/39/81/531433981.db2.gz 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COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826210306 607632080 /nfs/dbraw/zinc/63/20/80/607632080.db2.gz MAGPNBMDTLTNQA-SNVBAGLBSA-N -1 3 375.410 1.620 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210306 607632081 /nfs/dbraw/zinc/63/20/81/607632081.db2.gz MAGPNBMDTLTNQA-SNVBAGLBSA-N -1 3 375.410 1.620 20 10 GDCDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826442336 607745034 /nfs/dbraw/zinc/74/50/34/607745034.db2.gz RJBGUBZOSZGLIV-UHFFFAOYSA-N -1 3 385.403 1.225 20 10 GDCDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826442336 607745035 /nfs/dbraw/zinc/74/50/35/607745035.db2.gz RJBGUBZOSZGLIV-UHFFFAOYSA-N -1 3 385.403 1.225 20 10 GDCDHM CC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000820920363 606582367 /nfs/dbraw/zinc/58/23/67/606582367.db2.gz PHDKKALOMIULRU-INIZCTEOSA-N -1 3 382.424 1.956 20 10 GDCDHM CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cc1 ZINC000821589378 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GDCDHM Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232623 598610628 /nfs/dbraw/zinc/61/06/28/598610628.db2.gz CMWCBDPKJWCFGG-GFCCVEGCSA-N -1 3 391.439 1.684 20 10 GDCDHM Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(O)c1O ZINC000822227740 599659685 /nfs/dbraw/zinc/65/96/85/599659685.db2.gz UFLCOFXQJYZHOH-UHFFFAOYSA-N -1 3 394.347 1.993 20 10 GDCDHM Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(O)c1O ZINC000822227740 599659686 /nfs/dbraw/zinc/65/96/86/599659686.db2.gz UFLCOFXQJYZHOH-UHFFFAOYSA-N -1 3 394.347 1.993 20 10 GDCDHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825878795 607580359 /nfs/dbraw/zinc/58/03/59/607580359.db2.gz FNCHVJRHLLCRBF-UHFFFAOYSA-N -1 3 376.417 1.550 20 10 GDCDHM COc1ccc(N2CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)cc1F ZINC000821831848 606634065 /nfs/dbraw/zinc/63/40/65/606634065.db2.gz PFFOPOBCPQZPLO-UHFFFAOYSA-N -1 3 384.419 1.748 20 10 GDCDHM COc1ccc(N2CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)cc1F ZINC000821831848 606634066 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CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)CC[C@H](C)O ZINC000297950051 531836719 /nfs/dbraw/zinc/83/67/19/531836719.db2.gz UKBVIZUWNYXDEY-NSHDSACASA-N -1 3 387.274 1.733 20 10 GDCDHM CCN1C(=O)[C@@H]2CN(Cc3cc(Br)cc(OC)c3[O-])CCN2C1=O ZINC000369436716 531965355 /nfs/dbraw/zinc/96/53/55/531965355.db2.gz JEMYXLFGXSQUQY-LBPRGKRZSA-N -1 3 398.257 1.632 20 10 GDCDHM C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273470699 532151798 /nfs/dbraw/zinc/15/17/98/532151798.db2.gz JODKELURRNEDNH-JQWIXIFHSA-N -1 3 386.451 1.847 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737269290 599105338 /nfs/dbraw/zinc/10/53/38/599105338.db2.gz BVBYFRWAYCKAKI-UHFFFAOYSA-N -1 3 395.471 1.547 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737269290 599105341 /nfs/dbraw/zinc/10/53/41/599105341.db2.gz BVBYFRWAYCKAKI-UHFFFAOYSA-N -1 3 395.471 1.547 20 10 GDCDHM Cc1cc(C(=O)NC[C@@H]2COCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233988 598610431 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395.375 1.862 20 10 GDCDHM C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820488527 607450380 /nfs/dbraw/zinc/45/03/80/607450380.db2.gz OYUHGUGQVLGDLN-DJYGCBNOSA-N -1 3 395.375 1.862 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1O ZINC000826215912 607631975 /nfs/dbraw/zinc/63/19/75/607631975.db2.gz BZKWPNYIPBHXQM-UHFFFAOYSA-N -1 3 375.410 1.368 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1O ZINC000826215912 607631977 /nfs/dbraw/zinc/63/19/77/607631977.db2.gz BZKWPNYIPBHXQM-UHFFFAOYSA-N -1 3 375.410 1.368 20 10 GDCDHM Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177452 606286964 /nfs/dbraw/zinc/28/69/64/606286964.db2.gz ZXTOSDGNKNPRNR-GOEBONIOSA-N -1 3 378.436 1.941 20 10 GDCDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c(O)c1O ZINC000822226058 606343743 /nfs/dbraw/zinc/34/37/43/606343743.db2.gz ALSHTSDCXQDMHD-UHFFFAOYSA-N -1 3 398.398 1.688 20 10 GDCDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c(O)c1O 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ZINC000179790678 530749773 /nfs/dbraw/zinc/74/97/73/530749773.db2.gz RPIMXFNVTNQZFR-UHFFFAOYSA-N -1 3 384.274 1.324 20 10 GDCDHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267544163 531433511 /nfs/dbraw/zinc/43/35/11/531433511.db2.gz WHJSGDIDEPDPFD-UDWROGOWSA-N -1 3 388.511 1.573 20 10 GDCDHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267544160 531433621 /nfs/dbraw/zinc/43/36/21/531433621.db2.gz WHJSGDIDEPDPFD-BRHMAQAHSA-N -1 3 388.511 1.573 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC=C(Br)C2)c1 ZINC000282177197 531716977 /nfs/dbraw/zinc/71/69/77/531716977.db2.gz FJTCPYZLFHJMHB-UHFFFAOYSA-N -1 3 375.244 1.888 20 10 GDCDHM CO[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000374230911 532115539 /nfs/dbraw/zinc/11/55/39/532115539.db2.gz PDXYMONWRZTLLC-IUODEOHRSA-N -1 3 376.906 1.964 20 10 GDCDHM Cc1cc(C(=O)NCCn2cncn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236953 598611872 /nfs/dbraw/zinc/61/18/72/598611872.db2.gz 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1.575 20 10 GDCDHM COc1ccc(N2CCN(CCCNc3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737098410 598385507 /nfs/dbraw/zinc/38/55/07/598385507.db2.gz CSBVWBGTHIENEG-UHFFFAOYSA-N -1 3 395.471 1.290 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106174 598785653 /nfs/dbraw/zinc/78/56/53/598785653.db2.gz OOEQLQJUFDTGMG-JTQLQIEISA-N -1 3 382.380 1.397 20 10 GDCDHM COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106174 598785654 /nfs/dbraw/zinc/78/56/54/598785654.db2.gz OOEQLQJUFDTGMG-JTQLQIEISA-N -1 3 382.380 1.397 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823018875 607452007 /nfs/dbraw/zinc/45/20/07/607452007.db2.gz ZNAAZOCNTLRAHN-RQOWECAXSA-N -1 3 387.377 1.535 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823018875 607452009 /nfs/dbraw/zinc/45/20/09/607452009.db2.gz ZNAAZOCNTLRAHN-RQOWECAXSA-N -1 3 387.377 1.535 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826210327 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CCOCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751374165 654885532 /nfs/dbraw/zinc/88/55/32/654885532.db2.gz XDPPBYBSXBUQNA-HNNXBMFYSA-N -1 3 376.906 1.966 20 10 GDCDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCCSc1nccs1 ZINC000810399142 655158944 /nfs/dbraw/zinc/15/89/44/655158944.db2.gz SRBBUSCKNUVNQR-UHFFFAOYSA-N -1 3 390.512 1.325 20 10 GDCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=CCS(=O)(=O)C1 ZINC000821065561 655421806 /nfs/dbraw/zinc/42/18/06/655421806.db2.gz PANJFRMGYSWQKE-HNNXBMFYSA-N -1 3 384.885 1.481 20 10 GDCDHM COCCN(Cc1c([O-])cccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000862368063 655845261 /nfs/dbraw/zinc/84/52/61/655845261.db2.gz CFXVBAXWEQJKST-NSHDSACASA-N -1 3 378.288 1.790 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000928095100 656870869 /nfs/dbraw/zinc/87/08/69/656870869.db2.gz DGLXOGVSVNDGLX-KBPBESRZSA-N -1 3 385.511 1.073 20 10 GDCDHM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1[O-] ZINC000883334740 657282366 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20 10 GDCDHM C[S@@](=O)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000752819667 654936637 /nfs/dbraw/zinc/93/66/37/654936637.db2.gz OCEYFSNURUWGEH-XMMPIXPASA-N -1 3 382.463 1.431 20 10 GDCDHM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804372508 654993247 /nfs/dbraw/zinc/99/32/47/654993247.db2.gz MHMRKQHZAGFEAB-PELKAZGASA-N -1 3 382.360 1.556 20 10 GDCDHM COc1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(O)c1 ZINC000794377450 655142704 /nfs/dbraw/zinc/14/27/04/655142704.db2.gz OFXPUJHKSQWAKN-UHFFFAOYSA-N -1 3 390.870 1.710 20 10 GDCDHM CC(C)(C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(C)(=O)=O ZINC000761981857 655154009 /nfs/dbraw/zinc/15/40/09/655154009.db2.gz IUBMFYRKLKEDGT-CQSZACIVSA-N -1 3 388.917 1.949 20 10 GDCDHM O=C(CN1CCN(Cc2ccc(Br)cc2[O-])CC1)N1CCOCC1 ZINC000824534482 655477043 /nfs/dbraw/zinc/47/70/43/655477043.db2.gz DVQVNHNTPHFXEJ-UHFFFAOYSA-N -1 3 398.301 1.131 20 10 GDCDHM O=S(=O)([N-]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cscn1 ZINC000827684785 655515082 /nfs/dbraw/zinc/51/50/82/655515082.db2.gz XXVJZKWXPFOJBU-UHFFFAOYSA-N -1 3 375.422 1.736 20 10 GDCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H]2CCOC[C@@H]21 ZINC000862392674 655845766 /nfs/dbraw/zinc/84/57/66/655845766.db2.gz OPIJTBJQZAOORD-JSGCOSHPSA-N -1 3 376.272 1.543 20 10 GDCDHM C[C@@H]1CN(c2ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)cc2F)C[C@H](C)O1 ZINC000866543445 655948537 /nfs/dbraw/zinc/94/85/37/655948537.db2.gz WLSMYIWAHOYSCX-TXEJJXNPSA-N -1 3 393.506 1.501 20 10 GDCDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000867531716 656078844 /nfs/dbraw/zinc/07/88/44/656078844.db2.gz JVZLOOOIGVVSJV-QHCPKHFHSA-N -1 3 375.516 1.100 20 10 GDCDHM COc1ccc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1F ZINC000826209860 947613592 /nfs/dbraw/zinc/61/35/92/947613592.db2.gz UQCBZLLKPMDLDO-UHFFFAOYSA-N -1 3 394.414 1.989 20 10 GDCDHM COc1ccc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1F ZINC000826209860 947613600 /nfs/dbraw/zinc/61/36/00/947613600.db2.gz UQCBZLLKPMDLDO-UHFFFAOYSA-N -1 3 394.414 1.989 20 10 GDCDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(O)cc1O ZINC001574082480 948853604 /nfs/dbraw/zinc/85/36/04/948853604.db2.gz DWQHMFABTHKGAE-QGZVFWFLSA-N -1 3 383.408 1.998 20 10 GDCDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(O)cc1O ZINC001574082480 948853622 /nfs/dbraw/zinc/85/36/22/948853622.db2.gz DWQHMFABTHKGAE-QGZVFWFLSA-N -1 3 383.408 1.998 20 10 GDCDHM COc1ccc(N2CC[C@H](CNC(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)C2)cc1 ZINC001599586149 993616203 /nfs/dbraw/zinc/61/62/03/993616203.db2.gz MAGNWKICJCGCRO-HZPDHXFCSA-N -1 3 390.484 1.179 20 10 GDCDHM COC[C@@H](C)S(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161830038 530563887 /nfs/dbraw/zinc/56/38/87/530563887.db2.gz BKSFUHHUCZVHLW-DOMZBBRYSA-N -1 3 376.906 1.964 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCS(C)(=O)=O ZINC000176027161 530674754 /nfs/dbraw/zinc/67/47/54/530674754.db2.gz HNQLLKDMGKEVDL-UHFFFAOYSA-N -1 3 379.276 1.731 20 10 GDCDHM Cc1cc(Br)cc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000292885710 531386142 /nfs/dbraw/zinc/38/61/42/531386142.db2.gz YGSPYRHVUAQOHB-CYBMUJFWSA-N -1 3 377.304 1.929 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCn1ncn(C)c1=O ZINC000293430725 531421445 /nfs/dbraw/zinc/42/14/45/531421445.db2.gz QLUYMHABBMDBKK-UHFFFAOYSA-N -1 3 383.246 1.489 20 10 GDCDHM O=S(=O)(CCNCc1cc(Cl)c(F)cc1[O-])NC[C@@H]1CCCCO1 ZINC000293606865 531431954 /nfs/dbraw/zinc/43/19/54/531431954.db2.gz LMTDGZNJAOYSCH-LBPRGKRZSA-N -1 3 380.869 1.763 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NC[C@H](C)COC ZINC000286705644 532170326 /nfs/dbraw/zinc/17/03/26/532170326.db2.gz GNWUIPDCXBLMAX-NSHDSACASA-N -1 3 387.274 1.902 20 10 GDCDHM NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000737742994 598848528 /nfs/dbraw/zinc/84/85/28/598848528.db2.gz IAXCUGGWUGPKFR-UHFFFAOYSA-N -1 3 391.435 1.821 20 10 GDCDHM NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000737742994 598848531 /nfs/dbraw/zinc/84/85/31/598848531.db2.gz IAXCUGGWUGPKFR-UHFFFAOYSA-N -1 3 391.435 1.821 20 10 GDCDHM CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736819162 598398484 /nfs/dbraw/zinc/39/84/84/598398484.db2.gz IZNXNDHEEMWYES-UHFFFAOYSA-N -1 3 393.451 1.321 20 10 GDCDHM CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736819162 598398486 /nfs/dbraw/zinc/39/84/86/598398486.db2.gz IZNXNDHEEMWYES-UHFFFAOYSA-N -1 3 393.451 1.321 20 10 GDCDHM Cc1cc(C(=O)N2CCS(=O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235542 598496559 /nfs/dbraw/zinc/49/65/59/598496559.db2.gz WXVOJTUNQXNWQO-UHFFFAOYSA-N -1 3 384.465 1.479 20 10 GDCDHM Cc1cc(C(=O)NCc2nncn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236362 598610917 /nfs/dbraw/zinc/61/09/17/598610917.db2.gz JFLBYGWAURSZHE-UHFFFAOYSA-N -1 3 377.412 1.333 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000737106315 598779374 /nfs/dbraw/zinc/77/93/74/598779374.db2.gz RAXHJNASOQIGBO-LLVKDONJSA-N -1 3 399.407 1.846 20 10 GDCDHM COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000737106315 598779376 /nfs/dbraw/zinc/77/93/76/598779376.db2.gz RAXHJNASOQIGBO-LLVKDONJSA-N -1 3 399.407 1.846 20 10 GDCDHM Cc1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235390 598815722 /nfs/dbraw/zinc/81/57/22/598815722.db2.gz WYDXFVMDKVIKOB-OAHLLOKOSA-N -1 3 393.451 1.612 20 10 GDCDHM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000833479009 605119176 /nfs/dbraw/zinc/11/91/76/605119176.db2.gz XFSODVBOWNKLSP-MAUKXSAKSA-N -1 3 377.485 1.789 20 10 GDCDHM Cc1cc(C(=O)NCCn2cnnc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822519767 606109396 /nfs/dbraw/zinc/10/93/96/606109396.db2.gz LBFHRZBHPLIZPS-UHFFFAOYSA-N -1 3 391.439 1.604 20 10 GDCDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000822641702 606288602 /nfs/dbraw/zinc/28/86/02/606288602.db2.gz XTVQNPZDKZQSEN-UHFFFAOYSA-N -1 3 399.430 1.235 20 10 GDCDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000822641702 606288603 /nfs/dbraw/zinc/28/86/03/606288603.db2.gz XTVQNPZDKZQSEN-UHFFFAOYSA-N -1 3 399.430 1.235 20 10 GDCDHM Cc1cc(C(=O)N[C@@H]2CCCN(C)C2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167730 606311631 /nfs/dbraw/zinc/31/16/31/606311631.db2.gz GUVILGKYPGXTSQ-QGZVFWFLSA-N -1 3 393.451 1.625 20 10 GDCDHM COc1ccc(N2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831764 606489346 /nfs/dbraw/zinc/48/93/46/606489346.db2.gz LTAAWXMFDVITPA-UHFFFAOYSA-N -1 3 378.436 1.767 20 10 GDCDHM COc1ccc(N2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821831764 606489348 /nfs/dbraw/zinc/48/93/48/606489348.db2.gz LTAAWXMFDVITPA-UHFFFAOYSA-N -1 3 378.436 1.767 20 10 GDCDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc2c(cc1O)OCO2 ZINC000826162398 608136521 /nfs/dbraw/zinc/13/65/21/608136521.db2.gz ZYYALTIEVOVRHO-UHFFFAOYSA-N -1 3 385.380 1.938 20 10 GDCDHM Cc1cc(C(=O)N2C[C@H](CO)OC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257818 608186999 /nfs/dbraw/zinc/18/69/99/608186999.db2.gz PNXKIZCACHNYIM-CXAGYDPISA-N -1 3 396.451 1.496 20 10 GDCDHM CN1CCCc2cc(CNC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826034688 609216485 /nfs/dbraw/zinc/21/64/85/609216485.db2.gz WBWHMLWSKKCJPC-SFHVURJKSA-N -1 3 378.436 1.599 20 10 GDCDHM CN1CCCc2cc(CNC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826034688 609216487 /nfs/dbraw/zinc/21/64/87/609216487.db2.gz WBWHMLWSKKCJPC-SFHVURJKSA-N -1 3 378.436 1.599 20 10 GDCDHM CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](O)C(F)(F)F ZINC000774271445 654621212 /nfs/dbraw/zinc/62/12/12/654621212.db2.gz DDRMWIPEBVGNHY-RYUDHWBXSA-N -1 3 384.376 1.441 20 10 GDCDHM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000797432422 655242367 /nfs/dbraw/zinc/24/23/67/655242367.db2.gz DIEZORZWCLXOKQ-UHFFFAOYSA-N -1 3 383.451 1.298 20 10 GDCDHM C[Si](C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000765967402 655254659 /nfs/dbraw/zinc/25/46/59/655254659.db2.gz PMSAYFXQUAPYIN-UHFFFAOYSA-N -1 3 378.526 1.648 20 10 GDCDHM Cc1cc([O-])c(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Cl ZINC000825460840 655489622 /nfs/dbraw/zinc/48/96/22/655489622.db2.gz ABJPNWAMPLPSBJ-HNNXBMFYSA-N -1 3 388.917 1.980 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826401177 948222405 /nfs/dbraw/zinc/22/24/05/948222405.db2.gz ROAHFLOERBKYPL-RQOWECAXSA-N -1 3 393.407 1.035 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826401177 948222409 /nfs/dbraw/zinc/22/24/09/948222409.db2.gz ROAHFLOERBKYPL-RQOWECAXSA-N -1 3 393.407 1.035 20 10 GDCDHM O=C([O-])C[C@H]1CCCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001574680397 962582300 /nfs/dbraw/zinc/58/23/00/962582300.db2.gz ZXWUWGWJJUYCPB-MRXNPFEDSA-N -1 3 393.459 1.608 20 10 GDCDHM CN(C)c1ccc([C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)N(C)C)cc1 ZINC001598313657 991290957 /nfs/dbraw/zinc/29/09/57/991290957.db2.gz UFISESVLRVMRNM-DLBZAZTESA-N -1 3 378.473 1.240 20 10 GDCDHM C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257232 994527419 /nfs/dbraw/zinc/52/74/19/994527419.db2.gz MOXBWYAYNOKSKJ-OAHLLOKOSA-N -1 3 398.463 1.875 20 10 GDCDHM C[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258182 994539091 /nfs/dbraw/zinc/53/90/91/994539091.db2.gz WWQAWBTVBLSTDX-CQSZACIVSA-N -1 3 399.451 1.270 20 10 GDCDHM CN(C)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1 ZINC000055110960 530704701 /nfs/dbraw/zinc/70/47/01/530704701.db2.gz VVOVOFVOWBXBMC-ZDUSSCGKSA-N -1 3 383.495 1.858 20 10 GDCDHM CN(C)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1 ZINC000055110961 530704845 /nfs/dbraw/zinc/70/48/45/530704845.db2.gz VVOVOFVOWBXBMC-CYBMUJFWSA-N -1 3 383.495 1.858 20 10 GDCDHM NC(=O)[C@@H]1CCCN1CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277339638 531275039 /nfs/dbraw/zinc/27/50/39/531275039.db2.gz FQDWVBVWIQTMPO-ZDUSSCGKSA-N -1 3 399.289 1.294 20 10 GDCDHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267544161 531433593 /nfs/dbraw/zinc/43/35/93/531433593.db2.gz WHJSGDIDEPDPFD-FVLHQSPCSA-N -1 3 388.511 1.573 20 10 GDCDHM Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235291 598912075 /nfs/dbraw/zinc/91/20/75/598912075.db2.gz SDXNGLFIYAMFJK-AWEZNQCLSA-N -1 3 394.439 1.157 20 10 GDCDHM COc1ccc(O)c(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106771 598921670 /nfs/dbraw/zinc/92/16/70/598921670.db2.gz XTSIUBKSPAPQHQ-QGZVFWFLSA-N -1 3 394.435 1.866 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737271964 599150674 /nfs/dbraw/zinc/15/06/74/599150674.db2.gz ZYFTWRYCDKLCEC-UHFFFAOYSA-N -1 3 397.414 1.635 20 10 GDCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737271964 599150677 /nfs/dbraw/zinc/15/06/77/599150677.db2.gz ZYFTWRYCDKLCEC-UHFFFAOYSA-N -1 3 397.414 1.635 20 10 GDCDHM O=S1(=O)CCN(c2ccc(CNc3ncccc3-c3nnn[n-]3)cc2)CC1 ZINC000738359487 598394242 /nfs/dbraw/zinc/39/42/42/598394242.db2.gz RWQXZWMRAPOZMR-UHFFFAOYSA-N -1 3 385.453 1.109 20 10 GDCDHM O=S1(=O)CCN(c2ccc(CNc3ncccc3-c3nn[n-]n3)cc2)CC1 ZINC000738359487 598394244 /nfs/dbraw/zinc/39/42/44/598394244.db2.gz RWQXZWMRAPOZMR-UHFFFAOYSA-N -1 3 385.453 1.109 20 10 GDCDHM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737099235 598447133 /nfs/dbraw/zinc/44/71/33/598447133.db2.gz KWTAYRFGMQQOHR-UHFFFAOYSA-N -1 3 379.424 1.623 20 10 GDCDHM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737099235 598447135 /nfs/dbraw/zinc/44/71/35/598447135.db2.gz KWTAYRFGMQQOHR-UHFFFAOYSA-N -1 3 379.424 1.623 20 10 GDCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000738368032 598467054 /nfs/dbraw/zinc/46/70/54/598467054.db2.gz YXHKTUKBVYVHHJ-UHFFFAOYSA-N -1 3 396.411 1.634 20 10 GDCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000738368032 598467055 /nfs/dbraw/zinc/46/70/55/598467055.db2.gz YXHKTUKBVYVHHJ-UHFFFAOYSA-N -1 3 396.411 1.634 20 10 GDCDHM Cc1cc(C(=O)NCc2nccn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236133 598670425 /nfs/dbraw/zinc/67/04/25/598670425.db2.gz CDZZYFVMSSBFPJ-UHFFFAOYSA-N -1 3 376.424 1.938 20 10 GDCDHM Cc1cc(C(=O)OC[C@@H]2COCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240792 598786762 /nfs/dbraw/zinc/78/67/62/598786762.db2.gz HHQMHZRDFYUWCQ-INIZCTEOSA-N -1 3 383.408 1.846 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826210002 607631887 /nfs/dbraw/zinc/63/18/87/607631887.db2.gz AEFGTQRJGHWQOF-JTQLQIEISA-N -1 3 375.410 1.620 20 10 GDCDHM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210002 607631889 /nfs/dbraw/zinc/63/18/89/607631889.db2.gz AEFGTQRJGHWQOF-JTQLQIEISA-N -1 3 375.410 1.620 20 10 GDCDHM COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826210027 607637773 /nfs/dbraw/zinc/63/77/73/607637773.db2.gz BCAIASKKFKODRG-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM COC[C@H](CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)OC ZINC000826149315 609311441 /nfs/dbraw/zinc/31/14/41/609311441.db2.gz FIEYEVHTSCKUNA-INIZCTEOSA-N -1 3 384.440 1.665 20 10 GDCDHM COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826148561 609397067 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C[S@](=O)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000752819666 654936672 /nfs/dbraw/zinc/93/66/72/654936672.db2.gz OCEYFSNURUWGEH-DEOSSOPVSA-N -1 3 382.463 1.431 20 10 GDCDHM CNS(=O)(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000811500301 655198723 /nfs/dbraw/zinc/19/87/23/655198723.db2.gz YDDGINQPWDASLC-UHFFFAOYSA-N -1 3 378.292 1.173 20 10 GDCDHM COCCN(Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000825934370 655495039 /nfs/dbraw/zinc/49/50/39/655495039.db2.gz HQIXDPSQXALLKX-CYBMUJFWSA-N -1 3 378.288 1.790 20 10 GDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](CC(F)(F)F)C2)c1 ZINC000856358060 655712030 /nfs/dbraw/zinc/71/20/30/655712030.db2.gz KXFQJMGNHYXLEC-SNVBAGLBSA-N -1 3 382.360 1.557 20 10 GDCDHM C[C@@]1(C(F)(F)F)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000871440164 656269931 /nfs/dbraw/zinc/26/99/31/656269931.db2.gz QSBYFSCRNIJZKA-ZDUSSCGKSA-N -1 3 382.360 1.557 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826400486 948217984 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393.459 1.465 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)NS(C)(=O)=O ZINC000175845340 530671395 /nfs/dbraw/zinc/67/13/95/530671395.db2.gz ZGDYTYDDTBPZKP-VIFPVBQESA-N -1 3 379.276 1.441 20 10 GDCDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058971528 530734625 /nfs/dbraw/zinc/73/46/25/530734625.db2.gz DBEYLUPRQDKKPL-NSHDSACASA-N -1 3 385.486 1.936 20 10 GDCDHM O=S1(=O)CC[C@H](N2CCN(Cc3cc(Br)ccc3[O-])CC2)C1 ZINC000120383443 530939917 /nfs/dbraw/zinc/93/99/17/530939917.db2.gz JHNTUDRQCDOBHO-AWEZNQCLSA-N -1 3 389.315 1.459 20 10 GDCDHM O=S(=O)(CCNCc1cc(Cl)c(F)cc1[O-])NC[C@H]1CCCCO1 ZINC000293606862 531432410 /nfs/dbraw/zinc/43/24/10/531432410.db2.gz LMTDGZNJAOYSCH-GFCCVEGCSA-N -1 3 380.869 1.763 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCC(CO)CC1 ZINC000297946687 531837304 /nfs/dbraw/zinc/83/73/04/531837304.db2.gz UBCAOKTXDBKWKK-UHFFFAOYSA-N -1 3 399.285 1.734 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000298000390 531839652 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394.435 1.957 20 10 GDCDHM Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1-c1nnn[n-]1 ZINC000822206111 599605951 /nfs/dbraw/zinc/60/59/51/599605951.db2.gz UVUMSWJUOMNNEU-UHFFFAOYSA-N -1 3 393.451 1.804 20 10 GDCDHM Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1-c1nn[n-]n1 ZINC000822206111 599605952 /nfs/dbraw/zinc/60/59/52/599605952.db2.gz UVUMSWJUOMNNEU-UHFFFAOYSA-N -1 3 393.451 1.804 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2F)C[C@@H](C)O1 ZINC000824991949 607700299 /nfs/dbraw/zinc/70/02/99/607700299.db2.gz IHHFLMZJXZUPBQ-VXGBXAGGSA-N -1 3 399.430 1.878 20 10 GDCDHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2F)C[C@@H](C)O1 ZINC000824991949 607700300 /nfs/dbraw/zinc/70/03/00/607700300.db2.gz IHHFLMZJXZUPBQ-VXGBXAGGSA-N -1 3 399.430 1.878 20 10 GDCDHM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000833640482 605120715 /nfs/dbraw/zinc/12/07/15/605120715.db2.gz YQOQMEGKUPYYGM-KHYOSLBOSA-N -1 3 377.485 1.789 20 10 GDCDHM COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000826150537 609404285 /nfs/dbraw/zinc/40/42/85/609404285.db2.gz HBNKRQKRPZZQJA-MRXNPFEDSA-N -1 3 398.423 1.192 20 10 GDCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000370694170 645697439 /nfs/dbraw/zinc/69/74/39/645697439.db2.gz JUGKXWQHIPJPQL-SWLSCSKDSA-N -1 3 386.901 1.561 20 10 GDCDHM CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000808496407 655109945 /nfs/dbraw/zinc/10/99/45/655109945.db2.gz NSFXBCYEXYDYBA-UHFFFAOYSA-N -1 3 394.232 1.749 20 10 GDCDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3cn(C)c(Cl)n3)C2)cc1 ZINC000819887306 655397684 /nfs/dbraw/zinc/39/76/84/655397684.db2.gz ISLNJJQTMFHUTK-GFCCVEGCSA-N -1 3 384.889 1.887 20 10 GDCDHM Cn1ccnc(N2CCN(Cc3c([O-])cccc3Br)CC2)c1=O ZINC000862246740 655843065 /nfs/dbraw/zinc/84/30/65/655843065.db2.gz BUPXLPGIDNTRKE-UHFFFAOYSA-N -1 3 379.258 1.571 20 10 GDCDHM O=c1[nH]cc(S(=O)(=O)[N-]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000867382445 656049897 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CS(=O)(=O)NCC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000289533033 532326833 /nfs/dbraw/zinc/32/68/33/532326833.db2.gz QAOCSJANNVMJDB-UHFFFAOYSA-N -1 3 377.304 1.916 20 10 GDCDHM COC(=O)CCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736912962 598610068 /nfs/dbraw/zinc/61/00/68/598610068.db2.gz KSHFGERDKFHJCY-UHFFFAOYSA-N -1 3 382.424 1.957 20 10 GDCDHM Cc1cc(C(=O)NCCc2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236786 598611060 /nfs/dbraw/zinc/61/10/60/598611060.db2.gz RWNLHBFZSYEFLA-UHFFFAOYSA-N -1 3 390.451 1.980 20 10 GDCDHM Cc1cc(C(=O)OCCN2CCOC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242948 598623291 /nfs/dbraw/zinc/62/32/91/598623291.db2.gz QKTOJGSIIRGQSP-UHFFFAOYSA-N -1 3 396.407 1.883 20 10 GDCDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000822622926 606292067 /nfs/dbraw/zinc/29/20/67/606292067.db2.gz KMRLVTMMSJQKOT-HNNXBMFYSA-N -1 3 382.424 1.732 20 10 GDCDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000822622926 606292069 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20 10 GDCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)CCOCCOC)c(F)c1 ZINC000830151156 654931613 /nfs/dbraw/zinc/93/16/13/654931613.db2.gz SAPBJNQYCIKXNR-UHFFFAOYSA-N -1 3 398.478 1.382 20 10 GDCDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCc1ccc(O)c(O)c1 ZINC000762275580 655161787 /nfs/dbraw/zinc/16/17/87/655161787.db2.gz WAWCCMSLHQNITO-UHFFFAOYSA-N -1 3 390.870 1.450 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826401422 948222053 /nfs/dbraw/zinc/22/20/53/948222053.db2.gz YBLVAUJFEFTYFF-GQCTYLIASA-N -1 3 393.407 1.035 20 10 GDCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826401422 948222060 /nfs/dbraw/zinc/22/20/60/948222060.db2.gz YBLVAUJFEFTYFF-GQCTYLIASA-N -1 3 393.407 1.035 20 10 GDCDHM C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593221109 994320355 /nfs/dbraw/zinc/32/03/55/994320355.db2.gz WWUUZQYTMCQEDQ-WWTUQBGBSA-N -1 3 375.469 1.825 20 10 GDCDHM CN1CCCc2cc(CNC(=O)C[N-]S(=O)(=O)c3cccs3)ccc21 ZINC000057550018 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CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OC ZINC000820920365 606581995 /nfs/dbraw/zinc/58/19/95/606581995.db2.gz PHDKKALOMIULRU-MRXNPFEDSA-N -1 3 382.424 1.956 20 10 GDCDHM Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257819 608187255 /nfs/dbraw/zinc/18/72/55/608187255.db2.gz PNXKIZCACHNYIM-DYVFJYSZSA-N -1 3 396.451 1.496 20 10 GDCDHM Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257821 608187548 /nfs/dbraw/zinc/18/75/48/608187548.db2.gz PNXKIZCACHNYIM-SUMWQHHRSA-N -1 3 396.451 1.496 20 10 GDCDHM Cc1cc(C(=O)NCC2(C)OCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259163 608200357 /nfs/dbraw/zinc/20/03/57/608200357.db2.gz JQIWYFMATNVTCN-UHFFFAOYSA-N -1 3 382.424 1.767 20 10 GDCDHM C[C@H](CC(=O)NCc1ccccc1O)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769363585 654457666 /nfs/dbraw/zinc/45/76/66/654457666.db2.gz VSOZURRXZFCJSG-LLVKDONJSA-N -1 3 383.857 1.814 20 10 GDCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C(F)(F)F)O1 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20 10 GDCDHM O=C(N1CCNCC1)N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000530242262 649968528 /nfs/dbraw/zinc/96/85/28/649968528.db2.gz MGKFVLQTKUKXBM-UHFFFAOYSA-N -1 3 383.290 1.298 20 10 GDCDHM O=S(=O)(c1cccc2nsnc21)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826495845 607934050 /nfs/dbraw/zinc/93/40/50/607934050.db2.gz DJZJCSPDWHHRHJ-UHFFFAOYSA-N -1 3 385.434 1.623 20 10 GDCDHM O=S(=O)(c1cccc2nsnc21)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826495845 607934051 /nfs/dbraw/zinc/93/40/51/607934051.db2.gz DJZJCSPDWHHRHJ-UHFFFAOYSA-N -1 3 385.434 1.623 20 10 GDCDHM COCCCS(=O)(=O)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840921256 655304107 /nfs/dbraw/zinc/30/41/07/655304107.db2.gz PTIGBTGUHQQUFN-UHFFFAOYSA-N -1 3 376.906 1.838 20 10 GDCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1noc(C(F)F)n1 ZINC000819570411 655392768 /nfs/dbraw/zinc/39/27/68/655392768.db2.gz IPEVHSTYFHEMNR-ZCFIWIBFSA-N -1 3 376.341 1.575 20 10 GDCDHM C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)c(F)cc1[O-] ZINC000858569551 655749408 /nfs/dbraw/zinc/74/94/08/655749408.db2.gz KHFYLLGCPHMDIY-MRVPVSSYSA-N -1 3 396.282 1.435 20 10 GDCDHM CN(C)c1ccc([C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)N(C)C)cc1 ZINC001521216232 958222547 /nfs/dbraw/zinc/22/25/47/958222547.db2.gz FZGUKJWPWCTNLW-QGZVFWFLSA-N -1 3 392.500 1.536 20 10 GDCDHM CN(C)CCn1nccc1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911360631 982378267 /nfs/dbraw/zinc/37/82/67/982378267.db2.gz XDTPSKMVVPYDEW-UHFFFAOYSA-N -1 3 380.832 1.531 20 10 GDCDHM CN1CCN(c2ccc(CN3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cc2F)CC1 ZINC001598622459 994025105 /nfs/dbraw/zinc/02/51/05/994025105.db2.gz KJWPZUMINGMRPQ-HNNXBMFYSA-N -1 3 388.447 1.314 20 10 GDCDHM CN(CCO)S(=O)(=O)c1ccccc1CNCc1c([O-])cccc1Cl ZINC000113361490 530889098 /nfs/dbraw/zinc/88/90/98/530889098.db2.gz OGUTZVSFHZQMHW-UHFFFAOYSA-N -1 3 384.885 1.948 20 10 GDCDHM NC(=O)c1cccnc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000133117135 531087872 /nfs/dbraw/zinc/08/78/72/531087872.db2.gz QADKELCWFBKUQC-UHFFFAOYSA-N -1 3 391.269 1.971 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1CCC(=O)NC1=O ZINC000266552017 531354108 /nfs/dbraw/zinc/35/41/08/531354108.db2.gz SJXMCQZETAMSHQ-UHFFFAOYSA-N -1 3 384.230 1.445 20 10 GDCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCN(C)CC1 ZINC000297972527 531837960 /nfs/dbraw/zinc/83/79/60/531837960.db2.gz WAXOEKMXAKVLDT-UHFFFAOYSA-N -1 3 384.274 1.277 20 10 GDCDHM COCCCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000273780790 532170037 /nfs/dbraw/zinc/17/00/37/532170037.db2.gz SOCUVBJYEYPCMJ-UHFFFAOYSA-N -1 3 392.905 1.538 20 10 GDCDHM Cc1cc(C(=O)NCc2nnc(C)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737523945 598611156 /nfs/dbraw/zinc/61/11/56/598611156.db2.gz XXAHJRGDNQIGHL-UHFFFAOYSA-N -1 3 378.396 1.896 20 10 GDCDHM Cc1cc(C(=O)NCCc2nncn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236377 598767881 /nfs/dbraw/zinc/76/78/81/598767881.db2.gz JKJVFKHGAGQJPB-UHFFFAOYSA-N -1 3 391.439 1.375 20 10 GDCDHM Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228158 599573405 /nfs/dbraw/zinc/57/34/05/599573405.db2.gz VYMCXDDCCUYZBN-QGZVFWFLSA-N -1 3 393.451 1.577 20 10 GDCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)c1 ZINC000821839806 599605062 /nfs/dbraw/zinc/60/50/62/599605062.db2.gz YTDNPWNBTOGHMY-UHFFFAOYSA-N -1 3 382.380 1.144 20 10 GDCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000821839806 599605064 /nfs/dbraw/zinc/60/50/64/599605064.db2.gz YTDNPWNBTOGHMY-UHFFFAOYSA-N -1 3 382.380 1.144 20 10 GDCDHM COc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1O ZINC000826216316 607632348 /nfs/dbraw/zinc/63/23/48/607632348.db2.gz SHHLJPINDDAVGG-UHFFFAOYSA-N -1 3 395.828 1.713 20 10 GDCDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000821609799 606786941 /nfs/dbraw/zinc/78/69/41/606786941.db2.gz MEIICRCOPXEQNS-UHFFFAOYSA-N -1 3 381.352 1.742 20 10 GDCDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000821609799 606786943 /nfs/dbraw/zinc/78/69/43/606786943.db2.gz MEIICRCOPXEQNS-UHFFFAOYSA-N -1 3 381.352 1.742 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826073143 607953252 /nfs/dbraw/zinc/95/32/52/607953252.db2.gz GQLYCSAAEOGBKO-GORDUTHDSA-N -1 3 375.392 1.224 20 10 GDCDHM CNC(=O)c1cncc(C=CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826073143 607953253 /nfs/dbraw/zinc/95/32/53/607953253.db2.gz GQLYCSAAEOGBKO-GORDUTHDSA-N -1 3 375.392 1.224 20 10 GDCDHM COc1ccc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826209834 609183192 /nfs/dbraw/zinc/18/31/92/609183192.db2.gz SSDKUJPSAYVDAE-GOSISDBHSA-N -1 3 394.435 1.258 20 10 GDCDHM COc1ccc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826209834 609183193 /nfs/dbraw/zinc/18/31/93/609183193.db2.gz SSDKUJPSAYVDAE-GOSISDBHSA-N -1 3 394.435 1.258 20 10 GDCDHM CCN(CC)[C@H](CNC=C1C(=O)[N-]C(=S)NC1=O)c1ccccc1Cl ZINC000029006100 644298752 /nfs/dbraw/zinc/29/87/52/644298752.db2.gz YWDISDOLYHNVDV-CQSZACIVSA-N -1 3 380.901 1.727 20 10 GDCDHM C[C@@H](CC(=O)NCc1ccccc1O)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769363586 654457721 /nfs/dbraw/zinc/45/77/21/654457721.db2.gz VSOZURRXZFCJSG-NSHDSACASA-N -1 3 383.857 1.814 20 10 GDCDHM CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cccc(O)c1[O-] ZINC000776643054 654701944 /nfs/dbraw/zinc/70/19/44/654701944.db2.gz BSNNSTHQKPJOOX-UHFFFAOYSA-N -1 3 380.198 1.966 20 10 GDCDHM C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804372513 654993336 /nfs/dbraw/zinc/99/33/36/654993336.db2.gz MHMRKQHZAGFEAB-UFBFGSQYSA-N -1 3 382.360 1.556 20 10 GDCDHM COC(=O)CN(CC[C@H]1CCS(=O)(=O)C1)Cc1cc(Cl)ccc1[O-] ZINC000760858101 655128455 /nfs/dbraw/zinc/12/84/55/655128455.db2.gz XRYWJZBEBGQXCJ-LBPRGKRZSA-N -1 3 375.874 1.845 20 10 GDCDHM CC(C)(C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)S(C)(=O)=O ZINC000761981854 655153983 /nfs/dbraw/zinc/15/39/83/655153983.db2.gz IUBMFYRKLKEDGT-AWEZNQCLSA-N -1 3 388.917 1.949 20 10 GDCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@](C)(C(F)F)O1 ZINC000856482004 655713912 /nfs/dbraw/zinc/71/39/12/655713912.db2.gz FSQVPTSPXRHWTF-VFZGTOFNSA-N -1 3 378.397 1.648 20 10 GDCDHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3c([O-])cccc3Br)C[C@H]21 ZINC000862416923 655846189 /nfs/dbraw/zinc/84/61/89/655846189.db2.gz XRHXAOPVMAFWRI-GDLCADMTSA-N -1 3 376.272 1.399 20 10 GDCDHM CC[C@@H](NCc1nnc2n1CCNC2=O)c1cc(Br)ccc1[O-] ZINC000883303832 657280704 /nfs/dbraw/zinc/28/07/04/657280704.db2.gz HNXBAWFTGWNHRE-LLVKDONJSA-N -1 3 380.246 1.731 20 10 GDCDHM NC(=O)c1cn(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)nn1 ZINC000895394186 658693982 /nfs/dbraw/zinc/69/39/82/658693982.db2.gz WIJZVMMAHDMULE-UHFFFAOYSA-N -1 3 398.236 1.821 20 10 GDCDHM